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Lista de obras de Juan J. de Pablo

1CPN: A coarse-grained multi-scale model of chromatin

artículo científico publicado en 2019

2D IR line shapes probe ovispirin peptide conformation and depth in lipid bilayers

artículo científico publicado en 2010

2DIR spectroscopy of human amylin fibrils reflects stable β-sheet structure

artículo científico publicado en 2011

3-D microwell culture of human embryonic stem cells

artículo científico publicado en 2006

A Detailed Examination of the Topological Constraints of Lamellae-Forming Block Copolymers

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

scholarly article published 30 September 2019

A Hybrid Human-Computer Approach to the Extraction of Scientific Facts from the Literature

artículo científico publicado en 2016

A Molecular View of the Dynamics of dsDNA Packing Inside Viral Capsids in the Presence of Ions

artículo científico publicado en 2017

A biased Monte Carlo technique for calculation of the density of states of polymer films

article

A boundary correction algorithm for metadynamics in multiple dimensions

artículo científico publicado en 2013

A coarse grain model for DNA.

artículo científico publicado en 2007

A coarse-grain three-site-per-nucleotide model for DNA with explicit ions ⬇️

artículo científico publicado el 28 de octubre de 2011

A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases

artículo científico publicado en 1994

A machine learning workflow for molecular analysis: application to melting points

artículo científico publicado en 2020

A mesoscale model of DNA and its renaturation

scientific article published on March 2009

A microfluidic system for large DNA molecule arrays

artículo científico publicado en 2004

A molecular view of DNA-conjugated nanoparticle association energies.

artículo científico publicado en 2015

A molecular view of melting in anhydrous phospholipidic membranes

artículo científico publicado en 2007

A molecular view of the role of chirality in charge-driven polypeptide complexation

scientific article published on 01 February 2015

A molecular view of vapor deposited glasses ⬇️

artículo científico publicado el 21 de mayo de 2011

A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation

artículo científico publicado en 2017

A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology.

artículo científico publicado en 2015

A new united atom force field for α-olefins

A pH-Triggered, Self-Assembled, and Bioprintable Hybrid Hydrogel Scaffold for Mesenchymal Stem Cell Based Bone Tissue Engineering

scientific article published on 25 February 2019

A single-molecule barcoding system using nanoslits for DNA analysis

artículo científico publicado en 2007

A theory of interactions between polarizable dielectric spheres

artículo científico publicado en 2016

Adaptive enhanced sampling by force-biasing using neural networks.

artículo científico publicado en 2018

Age and structure of a model vapour-deposited glass ⬇️

scientific article published on 20 October 2016

Aggregation and Solubility of a Model Conjugated Donor-Acceptor Polymer

artículo científico publicado en 2018

Amphiphile Induced Phase Transition of Liquid Crystals at Aqueous Interfaces

artículo científico publicado en 2018

An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution

artículo científico publicado en 2015

An entropic perspective of protein stability on surfaces

artículo científico publicado en 2008

An experimentally-informed coarse-grained 3-Site-Per-Nucleotide model of DNA: structure, thermodynamics, and dynamics of hybridization

artículo científico publicado en 2013

An immersed boundary method for Brownian dynamics simulation of polymers in complex geometries: application to DNA flowing through a nanoslit with embedded nanopits

artículo científico publicado en 2012

An in situ shearing x-ray measurement system for exploring structures and dynamics at the solid-liquid interface

artículo científico publicado en 2020

Anchoring energies of liquid crystals measured on surfaces presenting oligopeptides.

artículo científico publicado en 2006

Anisotropic Vapor-Deposited Glasses: Hybrid Organic Solids

scientific article published on 23 January 2019

Anisotropic nanoparticles immersed in a nematic liquid crystal: defect structures and potentials of mean force.

artículo científico publicado en 2006

Anisotropy and probe-medium interactions in the microrheology of nematic fluids

Antiplasticization and local elastic constants in trehalose and glycerol mixtures

artículo científico publicado en 2008

Association of helical beta-peptides and their aggregation behavior from the potential of mean force in explicit solvent

scientific article published on June 2009

Author Correction: Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface

artículo científico publicado en 2018

Auxetic metamaterials from disordered networks

artículo científico publicado en 2018

Basis function sampling: a new paradigm for material property computation

artículo científico publicado en 2014

Blending Education and Polymer Science: Semi Automated Creation of a Thermodynamic Property Database

artículo científico publicado en 2016

Block copolymer assembly on nanoscale patterns of polymer brushes formed by electrohydrodynamic jet printing.

artículo científico publicado en 2014

Blue-phase liquid crystal droplets

artículo científico publicado en 2015

Bottom-Up Meets Top-Down: The Crossroads of Multiscale Chromatin Modeling

artículo científico publicado en 2020

Calculation of interfacial tension from density of states

Calculation of local mechanical properties of filled polymers

artículo científico publicado en 2007

Characterization of adsorbate-induced ordering transitions of liquid crystals within monodisperse droplets

artículo científico publicado en 2009

Characterization of the potential energy landscape of an antiplasticized polymer

artículo científico publicado en 2007

Characterization of the reversible interaction of pairs of nanoparticles dispersed in nematic liquid crystals

artículo científico publicado en 2009

Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography.

artículo científico publicado en 2015

Chirality-selected phase behaviour in ionic polypeptide complexes

artículo científico publicado en 2015

Coarse-Grained Ions for Nucleic Acid Modeling

artículo científico publicado en 2015

Coarse-Grained Model of the Dynamics of Electrolyte Solutions.

artículo científico publicado en 2017

Coarse-Grained Simulations of Macromolecules: From DNA to Nanocomposites ⬇️

artículo científico publicado el 1 de enero de 2011

Coarse-grained modeling of DNA curvature. ⬇️

artículo científico publicado en 2014

Coarse-grained modeling of DNA oligomer hybridization: length, sequence, and salt effects.

artículo científico publicado en 2014

Colloid-in-liquid crystal gels formed via spinodal decomposition.

artículo científico publicado en 2014

Colloid-in-liquid crystal gels that respond to biomolecular interactions

artículo científico publicado en 2013

Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes

scientific article published on 10 February 2020

Complex Coacervation in Polyelectrolytes from a Coarse-Grained Model

artículo científico publicado en 2018

Configurational temperature density of states simulations of proteins

artículo científico publicado en 2003

Confinement effects on the thermodynamics of protein folding: Monte Carlo simulations

artículo científico publicado en 2005

Conformation and dynamics of single DNA molecules in parallel-plate slit microchannels.

artículo científico publicado en 2004

Continuum configurational bias Monte-Carlo studies of alkanes and polyethylene

artículo científico publicado en 1993

Continuum-configurational-bias Monte Carlo simulations of long-chain alkanes

artículo científico publicado en 1993

Controlled deformation of vesicles by flexible structured media

artículo científico publicado en 2016

Controlling placement of nonspherical (boomerang) colloids in nematic cells with photopatterned director.

artículo científico publicado en 2016

Critical Percolation Threshold for Solvation-Site Connectivity in Polymer Electrolyte Mixtures

scientific article published in 2022

Cross-stream migration of flexible molecules in a nanochannel

artículo científico publicado en 2006

Cryopreservation of adherent human embryonic stem cells

artículo científico publicado en 2004

Cuboidal liquid crystal phases under multiaxial geometrical frustration

scientific article published on 15 January 2020

DNA Molecules in Microfluidic Oscillatory Flow

artículo científico publicado en 2005

DNA dynamics in a microchannel

artículo científico publicado en 2003

DNA shape dominates sequence affinity in nucleosome formation.

artículo científico publicado en 2014

Defect Annihilation Pathways in Directed Assembly of Lamellar Block Copolymer Thin Films

artículo científico publicado en 2018

Defect removal in the course of directed self-assembly is facilitated in the vicinity of the order-disorder transition.

artículo científico publicado en 2014

Defect structure around two colloids in a liquid crystal

artículo científico publicado en 2003

Degenerate conic anchoring and colloidal elastic dipole-hexadecapole transformations

scientific article published on 01 March 2019

Demixing by a Nematic Mean Field: Coarse-Grained Simulations of Liquid Crystalline Polymers

scientific article published on 03 March 2017

Density Multiplication and Improved Lithography by Directed Block Copolymer Assembly

artículo científico publicado en 2008

Density of States–Based Molecular Simulations ⬇️

artículo científico publicado el 5 de abril de 2012

Density-of-states Monte Carlo simulation of a binary glass

artículo científico publicado en 2004

Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data

artículo científico publicado en 2017

Dimerization of Helical β-Peptides in Solution ⬇️

artículo científico publicado el 20 de marzo de 2012

Dipole-induced self-assembly of helical beta-peptides

artículo científico publicado en 2008

Direct Observation of Liquid Crystal Droplet Configurational Transitions using Optical Tweezers

scientific article published on 10 February 2020

Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations

artículo científico publicado en 2005

Directed Self-Assembly of Colloidal Particles onto Nematic Liquid Crystalline Defects Engineered by Chemically Patterned Surfaces.

artículo científico publicado en 2017

Directed assembly of block copolymer blends into nonregular device-oriented structures

artículo científico publicado en 2005

Directed assembly of non-equilibrium ABA triblock copolymer morphologies on nanopatterned substrates

artículo científico publicado en 2012

Directed copolymer assembly on chemical substrate patterns: a phenomenological and single-chain-in-mean-field simulations study of the influence of roughness in the substrate pattern

artículo científico publicado en 2007

Directed differentiation of human embryonic stem cells to epidermal progenitors

artículo científico publicado en 2010

Directed self-assembly of block copolymers for nanolithography: fabrication of isolated features and essential integrated circuit geometries

artículo científico publicado en 2007

Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals.

artículo científico publicado en 2017

Directed self-assembly of nematic liquid crystals on chemically patterned surfaces: morphological states and transitions.

artículo científico publicado en 2016

Directly Observing Micelle Fusion and Growth in Solution by Liquid-Cell Transmission Electron Microscopy.

artículo científico publicado en 2017

Dissociation of salts in water under pressure

artículo científico publicado en 2020

Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface

artículo científico

Dynamic interaction between suspended particles and defects in a nematic liquid crystal

artículo científico publicado en 2003

Dynamic structure of active nematic shells

artículo científico publicado en 2016

Dynamics of poly[n]catenane melts

artículo científico publicado en 2020

Early-stage human islet amyloid polypeptide aggregation: Mechanisms behind dimer formation

scientific article published on 01 July 2018

Effect of pH, counter ion, and phosphate concentration on the glass transition temperature of freeze-dried sugar-phosphate mixtures

artículo científico publicado en 2004

Effect of proline mutations on the monomer conformations of amylin

artículo científico publicado en 2013

Effect of sugar-phosphate mixtures on the stability of DPPC membranes in dehydrated systems

artículo científico publicado en 2004

Effect of temperature on the structure and dynamics of triblock polyelectrolyte gels

artículo científico publicado en 2018

Effect of trehalose on amyloid beta (29-40)-membrane interaction

artículo científico publicado en 2009

Effect of trehalose on the interaction of Alzheimer's Aβ-peptide and anionic lipid monolayers ⬇️

artículo científico publicado el 1 de octubre de 2010

Effects of 3D microwell culture on growth kinetics and metabolism of human embryonic stem cells

artículo científico publicado en 2012

Effects of trehalose on the phase behavior of DPPC-cholesterol unilamellar vesicles

artículo científico publicado en 2006

Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics

artículo científico publicado en 2012

Electronic structure at coarse-grained resolutions from supervised machine learning

artículo científico publicado en 2019

Electroporation of human embryonic stem cells: Small and macromolecule loading and DNA transfection

artículo científico publicado en 2006

Electrostatic confinement and manipulation of DNA molecules for genome analysis.

artículo científico publicado en 2017

Elongation and migration of single DNA molecules in microchannels using oscillatory shear flows

artículo científico publicado en 2009

Endohedral confinement of a DNA dodecamer onto pristine carbon nanotubes and the stability of the canonical B form.

artículo científico publicado en 2014

Endotoxin-Induced Structural Transformations in Liquid Crystalline Droplets ⬇️

artículo científico publicado el 19 de mayo de 2011

Engineering the stem cell microenvironment

artículo científico publicado en 2007

Engineering tissue from human embryonic stem cells

artículo científico publicado en 2008

Entanglement network in nanoparticle reinforced polymers

artículo científico publicado en 2009

Epitaxial self-assembly of block copolymers on lithographically defined nanopatterned substrates

artículo científico publicado en 2003

Erratum: “Liquid-crystal mediated nanoparticle interactions and gel formation” [J. Chem. Phys. 138, 194903 (2013)].

artículo científico publicado en 2014

Estimation of the chemical potential of chain molecules by simulation

artículo científico publicado en 1992

Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings

article published in 2012

Evolution of glassy gratings with variable aspect ratios under surface diffusion

artículo científico publicado en 2011

Evolutionary Optimization of Directed Self-Assembly of Triblock Copolymers on Chemically Patterned Substrates

Evolutionary strategy for inverse charge measurements of dielectric particles

artículo científico publicado en 2018

Extracting collective motions underlying nucleosome dynamics via nonlinear manifold learning

scientific article published on 01 February 2019

Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry

artículo científico publicado en 2006

Fast calculation of the density of states of a fluid by Monte Carlo simulations

artículo científico publicado en 2003

Fast computation of many-particle hydrodynamic and electrostatic interactions in a confined geometry.

artículo científico publicado en 2007

Fivefold symmetry as an inhibitor to hard-sphere crystallization

artículo científico publicado en 2011

Fluctuations and phase transitions of uniaxial and biaxial liquid crystals using a theoretically informed Monte Carlo and a Landau free energy density

artículo científico publicado en 2019

Fluorinated Quaternary Ammonium Salts as Dissolution Aids for Polar Polymers in Environmentally Benign Supercritical Carbon Dioxide

Folding of polyglutamine chains

artículo científico publicado en 2008

Free energy of metal-organic framework self-assembly

artículo científico publicado en 2019

Free volume and finite-size effects in a polymer glass under stress

scientific article published on 20 November 2007

GNNQQNY--investigation of early steps during amyloid formation

artículo científico publicado en 2010

Gel phase formation in dilute triblock copolyelectrolyte complexes.

scientific article published on 23 February 2017

Gelatin-Derived Graphene-Silicate Hybrid Materials Are Biocompatible and Synergistically Promote BMP9-Induced Osteogenic Differentiation of Mesenchymal Stem Cells.

artículo científico publicado en 2017

Generation and differentiation of human embryonic stem cell-derived keratinocyte precursors

artículo científico publicado en 2006

Graph-Based Approach to Systematic Molecular Coarse-Graining

Graph-Based Approach to Systematic Molecular Coarse-Graining

Graphoepitaxial assembly of asymmetric ternary blends of block copolymers and homopolymers

scientific article published on 11 November 2010

Hierarchical Assembly of Nanoparticle Superstructures from Block Copolymer-Nanoparticle Composites

artículo científico publicado en 2008

Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods.

artículo científico publicado en 2018

Homeotropic nano-particle assembly on degenerate planar nematic interfaces: films and droplets.

artículo científico publicado en 2015

Human embryonic stem cell-derived keratinocytes exhibit an epidermal transcription program and undergo epithelial morphogenesis in engineered tissue constructs

artículo científico publicado en 2010

Hydrodynamic effects on the translocation rate of a polymer through a pore

artículo científico publicado en 2009

Hydrodynamic interactions in topologically linked ring polymers

artículo científico publicado en 2020

Ideal isotropic auxetic networks from random networks

artículo científico publicado en 2019

Image method for induced surface charge from many-body system of dielectric spheres.

artículo científico publicado en 2016

Improved density of states Monte Carlo method based on recycling of rejected states

artículo científico publicado en 2006

Improved simulation method for the calculation of the elastic constants of crystalline and amorphous systems using strain fluctuations

scientific article published on 22 January 2003

Improved transition path sampling methods for simulation of rare events

artículo científico publicado en 2008

In Silico Measurement of Elastic Moduli of Nematic Liquid Crystals

artículo científico publicado en 2018

In silico evidence for sequence-dependent nucleosome sliding.

artículo científico publicado en 2017

In situ characterization of block copolymer ordering on chemically nanopatterned surfaces by time-resolved small angle x-ray scattering

Influence of Homopolymer Addition in Templated Assembly of Cylindrical Block Copolymers

scientific article published on 21 March 2019

Influence of Ion Solvation on the Properties of Electrolyte Solutions

artículo científico publicado en 2018

Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors.

artículo científico publicado en 2017

Influence of Nanorod Inclusions on Structure and Primitive Path Network of Polymer Nanocomposites at Equilibrium and Under Deformation

article

Influence of Vapor Deposition on Structural and Charge Transport Properties of Ethylbenzene Films

artículo científico publicado en 2017

Influence of confinement on the fragility of antiplasticized and pure polymer films

artículo científico publicado en 2006

Influence of confinement on the vibrational density of states and the Boson peak in a polymer glass

artículo científico publicado en 2004

Influence of surfactant tail branching and organization on the orientation of liquid crystals at aqueous-liquid crystal interfaces

artículo científico publicado en 2005

Inherent structure energy is a good indicator of molecular mobility in glasses

artículo científico publicado en 2016

Inhibition of human embryonic stem cell differentiation by mechanical strain

artículo científico publicado en 2006

Interactions between spherical colloids mediated by a liquid crystal: a molecular simulation and mesoscale study

artículo científico publicado en 2004

Interactions of liquid crystal-forming molecules with phospholipid bilayers studied by molecular dynamics simulations

artículo científico publicado en 2005

Interfacial Tension of Polyelectrolyte Complex Coacervate Phases

article published in 2014

Interplay of structure, elasticity, and dynamics in actin-based nematic materials.

artículo científico publicado en 2017

Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells.

artículo científico publicado en 2018

Intrinsic Ion Transport Properties of Block Copolymer Electrolytes

artículo científico publicado en 2020

Investigation of transition States in bulk and freestanding film polymer glasses

artículo científico publicado en 2004

Isothermal stress and elasticity tensors for ions and point dipoles using Ewald summations

scientific article published on 07 June 2005

Isotropic-nematic phase transition in the Lebwohl-Lasher model from density of states simulations

artículo científico publicado en 2012

Lattice Boltzmann simulation of asymmetric flow in nematic liquid crystals with finite anchoring

artículo científico publicado en 2016

Layered nested Markov chain Monte Carlo

scientific article published on 01 August 2018

Light-activated helical inversion in cholesteric liquid crystal microdroplets

artículo científico publicado en 2018

Liquid Crystal Enabled Early Stage Detection of Beta Amyloid Formation on Lipid Monolayers

Liquid crystal free energy relaxation by a theoretically informed Monte Carlo method using a finite element quadrature approach

artículo científico publicado en 2015

Liquid crystal mediated interactions between nanoparticles in a nematic phase

scientific article published on 30 March 2012

Liquid crystal-based emulsions for synthesis of spherical and non-spherical particles with chemical patches.

artículo científico publicado en 2013

Liquid-crystal mediated nanoparticle interactions and gel formation

artículo científico publicado en 2013

Liquid-crystal-mediated self-assembly at nanodroplet interfaces

artículo científico publicado en 2012

Local dynamic mechanical properties in model free-standing polymer thin films

artículo científico publicado en 2005

Local elastic constants in thin films of an fcc crystal

artículo científico publicado en 2003

Local mechanical properties of polymeric nanocomposites

artículo científico publicado en 2005

Measurement of the azimuthal anchoring energy of liquid crystals in contact with oligo(ethylene glycol)-terminated self-assembled monolayers supported on obliquely deposited gold films

artículo científico publicado en 2006

Measuring liquid crystal elastic constants with free energy perturbations

artículo científico publicado en 2014

Mechanical Response of DNA-Nanoparticle Crystals to Controlled Deformation.

artículo científico publicado en 2016

Mechanical heterogeneities in model polymer glasses at small length scales

artículo científico publicado en 2004

Mechanical stability of helical beta-peptides and a comparison of explicit and implicit solvent models

artículo científico publicado en 2008

Mechanism and dynamics of block copolymer directed assembly with density multiplication on chemically patterned surfaces

Mechanism of IAPP amyloid fibril formation involves an intermediate with a transient β-sheet

artículo científico publicado en 2013

Melting line of the Lennard-Jones system, infinite size, and full potential

artículo científico publicado en 2007

Membrane Permeation versus Amyloidogenicity: A Multitechnique Study of Islet Amyloid Polypeptide Interaction with Model Membranes.

artículo científico publicado en 2016

Mesoscale martensitic transformation in single crystals of topological defects

artículo científico publicado en 2017

Mesoscale structure of chiral nematic shells.

artículo científico publicado en 2016

Model vapor-deposited glasses: growth front and composition effects

artículo científico publicado en 2013

Modeling Deformation and Flow of Disordered Materials

Modeling flows of confined nematic liquid crystals

artículo científico publicado en 2011

Modeling the polydomain-monodomain transition of liquid crystal elastomers

artículo científico publicado en 2013

Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer

artículo científico publicado en 2005

Modulation of Wnt/β-catenin signaling in human embryonic stem cells using a 3-D microwell array.

artículo científico publicado en 2011

Molecular Level Differences in Ionic Solvation and Transport Behavior in Ethylene Oxide-Based Homopolymer and Block Copolymer Electrolytes

artículo científico publicado en 2021

Molecular Origins of DNA Flexibility: Sequence Effects on Conformational and Mechanical Properties ⬇️

artículo científico publicado el 10 de junio de 2011

Molecular Simulation Study of Phospholipid Bilayers and Insights of the Interactions with Disaccharides ⬇️

artículo científico publicado el 1 de noviembre de 2003

Molecular Structure of Canonical Liquid Crystal Interfaces.

artículo científico publicado en 2017

Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease

scientific article published on 11 September 2020

Molecular dynamics simulation of discontinuous volume phase transitions in highly-charged crosslinked polyelectrolyte networks with explicit counterions in good solvent.

artículo científico publicado en 2005

Molecular modeling of vapor-deposited polymer glasses.

artículo científico publicado en 2014

Molecular pathways for defect annihilation in directed self-assembly.

artículo científico publicado en 2015

Molecular plasticity of polymeric glasses in the elastic regime

artículo científico publicado en 2008

Molecular propulsion: chemical sensing and chemotaxis of DNA driven by RNA polymerase

scientific article published on April 2009

Molecular simulation of the reversible mechanical unfolding of proteins

artículo científico publicado en 2004

Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions.

artículo científico publicado en 2008

Molecular simulation of ultrathin polymeric films near the glass transition

scientific article published on 01 October 2000

Molecular simulation study on the influence of dimethylsulfoxide on the structure of phospholipid bilayers

artículo científico publicado en 2003

Monte Carlo Simulation of Free-Standing Polymer Films near the Glass Transition Temperature

article published in 2002

Monte Carlo molecular simulation of the hydration of K-montmorillonite at 353 K and 625 bar.

artículo científico publicado en 2004

Monte Carlo molecular simulation of the hydration of Na-montmorillonite at reservoir conditions

artículo científico publicado en 2004

Monte Carlo simulation of a coarse-grained model of polyelectrolyte networks

artículo científico publicado en 2003

Monte carlo simulation of coarse grain polymeric systems

artículo científico publicado en 2009

Monte-Carlo simulation of ternary blends of block copolymers and homopolymers

scientific article published on 01 September 2011

Morphology of Lamellae-Forming Block Copolymer Films between Two Orthogonal Chemically Nanopatterned Striped Surfaces

artículo científico publicado en 2012

Morphology of multi-component polymer systems: single chain in mean field simulation studies

artículo científico publicado en 2006

Multivalent counterions diminish the lubricity of polyelectrolyte brushes

artículo científico publicado en 2018

Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes.

artículo científico publicado en 2017

N log N method for hydrodynamic interactions of confined polymer systems: Brownian dynamics

artículo científico publicado en 2006

Nanoparticle self-assembly at the interface of liquid crystal droplets

artículo científico publicado en 2015

Nanoparticles in nematic liquid crystals: interactions with nanochannels

artículo científico publicado en 2007

Nematic-field-driven positioning of particles in liquid crystal droplets

artículo científico publicado en 2013

Numerical simulation of Gaussian chains near hard surfaces

artículo científico publicado en 2010

Oligomers as Triggers for Responsive Liquid Crystals

scientific article published on 20 August 2018

OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations

artículo científico publicado en 2021

Optimal allocation of replicas in parallel tempering simulations

artículo científico publicado en 2005

Optimizing self-consistent field theory block copolymer models with X-ray metrology

artículo científico publicado en 2018

Order-parameter-based Monte Carlo simulation of crystallization

artículo científico publicado en 2006

Ordering of solid microparticles at liquid crystal-water interfaces

artículo científico publicado en 2008

Organized assemblies of colloids formed at the poles of micrometer-sized droplets of liquid crystal.

artículo científico publicado en 2014

Orientational anisotropy in simulated vapor-deposited molecular glasses.

artículo científico publicado en 2015

Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses

scientific article published on 31 December 2018

Over what length scale does an inorganic substrate perturb the structure of a glassy organic semiconductor?

scientific article published on 13 May 2020

Pack it up, pack it in: unraveling H-NS mediated genome packaging

artículo científico publicado en 2013

Pair and many-body interactions between ligated Au nanoparticles

artículo científico publicado en 2019

Parallel O(N) Stokes' solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

artículo científico publicado en 2017

Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra.

artículo científico publicado en 2012

Parameter estimation for X-ray scattering analysis with Hamiltonian Markov Chain Monte Carlo

scientific article published on 22 April 2022

Pattern Dimensions and Feature Shapes of Ternary Blends of Block Copolymer and Low Molecular Weight Homopolymers Directed To Assemble on Chemically Nanopatterned Surfaces ⬇️

artículo científico publicado el 15 de junio de 2011

Patterned surface anchoring of nematic droplets at miscible liquid-liquid interfaces

artículo científico publicado en 2017

Perfection in Nucleation and Growth of Blue-Phase Single Crystals: Small Free-Energy Required to Self-Assemble at Specific Lattice Orientation

scientific article published on 25 February 2019

Phase behavior of freeze-dried phospholipid-cholesterol mixtures stabilized with trehalose

artículo científico publicado en 2005

Phase equilibria of charge-, size-, and shape-asymmetric model electrolytes

scientific article published on 15 February 2002

Phase equilibria of size-asymmetric primitive model electrolytes

scientific article published on 01 March 2001

Photostability Can Be Significantly Modulated by Molecular Packing in Glasses.

artículo científico publicado en 2016

Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport

artículo científico publicado en 2016

Platelet cryopreservation using a trehalose and phosphate formulation

artículo científico publicado en 2005

Poly[n]catenanes: Synthesis of molecular interlocked chains.

artículo científico publicado en 2017

Polyelectrolyte Complex Coacervation across a Broad Range of Charge Densities

artículo científico publicado en 2021

Polymer Informatics: Opportunities and Challenges.

artículo científico publicado en 2017

Polymer chain collapse near the lower critical solution temperature

article published in 1997

Polymer-particle mixtures: depletion and packing effects

artículo científico publicado en 2004

Polymer-solid contacts described by soft, coarse-grained models

artículo científico publicado en 2011

Positioning colloids at the surfaces of cholesteric liquid crystal droplets

artículo científico publicado en 2016

Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: sphere size effects

artículo científico publicado en 2004

Potential of mean force between two nanometer-scale particles in a polymer solution

artículo científico publicado en 2005

Presentation of large DNA molecules for analysis as nanoconfined dumbbells

artículo científico publicado en 2013

Prolate and oblate chiral liquid crystal spheroids

artículo científico publicado en 2020

Qresp, a tool for curating, discovering and exploring reproducible scientific papers

scientific article published on 29 January 2019

Quantitative Three-Dimensional Characterization of Block Copolymer Directed Self-Assembly on Combined Chemical and Topographical Prepatterned Templates.

artículo científico publicado en 2016

Quenched disorder in a liquid-crystal biosensor: adsorbed nanoparticles at confining walls

artículo científico publicado en 2005

Reconfigurable Multicompartment Emulsion Drops Formed by Nematic Liquid Crystals and Immiscible Perfluorocarbon Oils

artículo científico publicado en 2019

Relationship between polymer chain conformation and phase boundaries in a supercritical fluid

Retinoic acid and bone morphogenetic protein signaling synergize to efficiently direct epithelial differentiation of human embryonic stem cells

artículo científico publicado en 2007

Revealing the interfacial self-assembly pathway of large-scale, highly-ordered, nanoparticle/polymer monolayer arrays at an air/water interface

artículo científico publicado en 2013

Reversible Switching of Liquid Crystalline Order Permits Synthesis of Homogeneous Populations of Dipolar Patchy Microparticles.

artículo científico publicado en 2014

Role of Defects in Ion Transport in Block Copolymer Electrolytes

scientific article published on 28 June 2019

Role of Molecular Architecture on Ion Transport in Ethylene oxide-Based Polymer Electrolytes

Role of local structure on motions on the potential energy landscape for a model supercooled polymer

artículo científico publicado en 2005

Role of solvation site segmental dynamics on ion transport in ethylene-oxide based side-chain polymer electrolytes

SSAGES: Software Suite for Advanced General Ensemble Simulations

artículo científico publicado en 2018

Sculpted grain boundaries in soft crystals

scientific article published on 29 November 2019

Sculpting bespoke mountains: Determining free energies with basis expansions.

artículo científico publicado en 2015

Sculpting stable structures in pure liquids

artículo científico publicado en 2019

Secondary Structure of Rat and Human Amylin across Force Fields

artículo científico publicado en 2015

Secondary relaxations in supercooled and glassy sucrose-borate aqueous solutions

artículo científico publicado en 2008

Segregation of liquid crystal mixtures in topological defects.

artículo científico publicado en 2017

Self-consistent description of electrokinetic phenomena in particle-based simulations

artículo científico publicado en 2015

Sequence effects in the melting and renaturation of short DNA oligonucleotides: structure and mechanistic pathways ⬇️

artículo científico publicado el 17 de diciembre de 2008

Sharp Morphological Transitions from Nanoscale Mixed-Anchoring Patterns in Confined Nematic Liquid Crystals

artículo científico publicado en 2017

Shear Thickening and Jamming of Dense Suspensions: The "Roll" of Friction

artículo científico publicado en 2020

Shear-induced migration in flowing polymer solutions: simulation of long-chain DNA in microchannels [corrected].

artículo científico publicado en 2004

Simulation of nonlinear shear rheology of dilute salt-free polyelectrolyte solutions.

artículo científico publicado en 2007

Simulation of phase equilibria for chain molecules

artículo científico publicado en 1992

Simulation of phase equilibria for polymer–supercritical solvent mixtures

Simulation of phase transitions in fluids

artículo científico publicado en 1999

Simulation of polyethylene above and below the melting point

artículo científico publicado en 1992

Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene

artículo científico publicado en 2004

Simulation of the solubility of alkanes in polyethylene

artículo científico publicado en 1993

Simulations of theoretically informed coarse grain models of polymeric systems

artículo científico publicado en 2010

Single nanoparticle tracking reveals influence of chemical functionality of nanoparticles on local ordering of liquid crystals and nanoparticle diffusion coefficients

artículo científico publicado en 2009

Slow dynamics of thin nematic films in the presence of adsorbed nanoparticles

artículo científico publicado en 2005

Soft crystal martensites: An in situ resonant soft x-ray scattering study of a liquid crystal martensitic transformation

scientific article published on 27 March 2020

Solution structures of rat amylin peptide: simulation, theory, and experiment

artículo científico publicado en 2010

Spherical nematic shells with a prolate ellipsoidal core

artículo científico publicado en 2017

Spherical particle immersed in a nematic liquid crystal: effects of confinement on the director field configurations

artículo científico publicado en 2003

Stability of Na-, K-, and Ca-montmorillonite at high temperatures and pressures: a Monte Carlo simulation

artículo científico publicado en 2005

Stabilization and preservation of Lactobacillus acidophilus in saccharide matrices

Stabilization of lactate dehydrogenase following freeze thawing and vacuum-drying in the presence of trehalose and borate

artículo científico publicado el 1 de agosto de 1998

Stable and metastable states of human amylin in solution.

artículo científico publicado en 2010

Stimuli-Responsive Cubosomes Formed from Blue Phase Liquid Crystals

artículo científico publicado en 2015

Strain-induced alignment and phase behavior of blue phase liquid crystals confined to thin films.

artículo científico publicado en 2017

Structural Correlations and Percolation in Twisted Perylene Diimides using a Simple Anisotropic Coarse-Grained Model

scientific article published on 20 November 2018

Structural Transitions in Cholesteric Liquid Crystal Droplets

artículo científico publicado en 2016

Structural motif of polyglutamine amyloid fibrils discerned with mixed-isotope infrared spectroscopy.

artículo científico publicado en 2014

Structural transformations in tetravalent nematic shells induced by a magnetic field

scientific article published on 18 June 2020

Structure and dynamics of hydrodynamically interacting finite-size Brownian particles in a spherical cavity: Spheres and cylinders

artículo científico publicado en 2020

Structure and proton conduction in sulfonated poly(ether ether ketone) semi-permeable membranes: a multi-scale computational approach

scientific article published on 01 May 2019

Structure and stability of a model three-helix-bundle protein on tailored surfaces

artículo científico publicado en 2005

Surface Adsorption in Nonpolarizable Atomic Models

artículo científico publicado en 2014

Surface activity of amphiphilic helical beta-peptides from molecular dynamics simulation

artículo científico publicado en 2009

Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions

artículo científico publicado en 2009

TGFbeta/Activin/Nodal pathway in inhibition of human embryonic stem cell differentiation by mechanical strain

artículo científico publicado en 2008

Targeted sequence design within the coarse-grained polymer genome

scientific article published on 21 October 2020

Tenfold increase in the photostability of an azobenzene guest in vapor-deposited glass mixtures

scientific article published on 01 November 2018

Tension-Dependent Free Energies of Nucleosome Unwrapping.

artículo científico publicado en 2016

Ternary, Tunable Polyelectrolyte Complex Fluids Driven by Complex Coacervation

Tethered DNA dynamics in shear flow

artículo científico publicado en 2009

Tetranucleosome Interactions Drive Chromatin Folding

artículo científico publicado en 2021

The Free Energy Landscape of Internucleosome Interactions and Its Relation to Chromatin Fiber Structure

The effect of hydrodynamic interactions on the dynamics of DNA translocation through pores.

artículo científico publicado en 2008

The effect of the water/methane interface on methane hydrate cages: the potential of mean force and cage lifetimes

artículo científico publicado en 2008

The looks of a million-year-old polymer glass

scientific article published on 01 October 2020

The microwell control of embryoid body size in order to regulate cardiac differentiation of human embryonic stem cells

artículo científico publicado en 2009

The response of human embryonic stem cell-derived endothelial cells to shear stress

artículo científico publicado en 2008

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields

artículo científico publicado en 2015

Theoretically informed coarse grain simulations of polymeric systems

artículo científico publicado en 2009

Theory for phase transitions in diblock copolymers: the lamellar case

artículo científico publicado en 2001

Thermally reconfigurable Janus droplets with nematic liquid crystalline and isotropic perfluorocarbon oil compartments

scientific article published on 01 March 2019

Thermodynamic stability of beta-peptide helices and the role of cyclic residues

artículo científico publicado en 2006

Thermophysical properties of trehalose and its concentrated aqueous solutions

artículo científico publicado en 1997

Three‐dimensional Directed Assembly of Block Copolymers together with Two‐dimensional Square and Rectangular Nanolithography ⬇️

artículo científico publicado el 7 de julio de 2011

Topcoat Approaches for Directed Self-Assembly of Strongly Segregating Block Copolymer Thin Films

Topological defects in liquid crystals as templates for molecular self-assembly

artículo científico publicado en 2015

Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors

artículo científico publicado en 2022

Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors

artículo científico publicado en 2015

Tunable structure and dynamics of active liquid crystals

scientific article published on 12 October 2018

Tuning polymer melt fragility with antiplasticizer additives

artículo científico publicado en 2007

Turning statistical physics models into materials design engines ⬇️

artículo científico publicado en 2015

Two-dimensional infrared spectroscopy reveals the complex behaviour of an amyloid fibril inhibitor

artículo científico publicado en 2012

Ultrastable glasses from in silico vapour deposition

artículo científico publicado en 2013

Uncovering pathways in DNA oligonucleotide hybridization via transition state analysis

artículo científico publicado en 2009

Understanding Atomic-Scale Behavior of Liquid Crystals at Aqueous Interfaces

artículo científico publicado en 2016

Understanding Ion Mobility in P2VP/NMP+I– Polymer Electrolytes: A Combined Simulation and Experimental Study

Unifying Weak and Strong Charge Correlations within the Random Phase Approximation: Polyampholytes of Various Sequences

artículo científico publicado en 2022

Using localized surface plasmon resonances to probe the nanoscopic origins of adsorbate-driven ordering transitions of liquid crystals in contact with chemically functionalized gold nanodots

artículo científico publicado en 2008

Vapor-Deposited Glasses Highlight the Role of Density in Photostability

artículo científico publicado en 2020

Water Flux Induced Reorientation of Liquid Crystals

artículo científico publicado en 2017

α-helix to β-hairpin transition of human amylin monomer

artículo científico publicado en 2013

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