Lista de obras - Luca Monticelli - Dominio Público Uruguay

A coarse-grained MARTINI model of polyethylene glycol and of polyoxyethylene alkyl ether surfactants

artículo científico publicado en 2012

Anomalous and normal diffusion of proteins and lipids in crowded lipid membranes

artículo científico publicado en 2013

Assessing polyglutamine conformation in the nucleating event by molecular dynamics simulations

artículo científico publicado en 2012

Calculating the free energy of transfer of small solutes into a model lipid membrane: Comparison between metadynamics and umbrella sampling

artículo científico publicado en 2015

Coarse-grained force fields for molecular simulations

artículo científico publicado en 2015

Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case

Computer simulation study of fullerene translocation through lipid membranes

artículo científico publicado en 2008

Conformational studies of a bombolitin III-derived peptide mimicking the four-helix bundle structural motif of proteins

artículo científico publicado en 2003

Correction to "On Atomistic Models for Molecular Oxygen"

artículo científico publicado en 2020

C₆₀ fullerene promotes lung monolayer collapse

artículo científico publicado en 2015

Determination of solution conformations of PrP106-126, a neurotoxic fragment of prion protein, by 1H NMR and restrained molecular dynamics.

artículo científico publicado en 1999

Effect of lipid peroxidation on the properties of lipid bilayers: a molecular dynamics study.

artículo científico publicado en 2007

Folding and mis-folding of peptides and proteins: insights from molecular simulations.

artículo científico publicado en 2005

Free Volume Theory Applied to Lateral Diffusion in Langmuir Monolayers: Atomistic Simulations for a Protein-Free Model of Lung Surfactant

scientific article published on 01 October 2010

Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers

scientific article published on 13 February 2013

Gold nanoparticles in model biological membranes: A computational perspective

artículo científico publicado en 2016

Hydrophobic compounds reshape membrane domains

artículo científico publicado en 2014

Improved Angle Potentials for Coarse-Grained Molecular Dynamics Simulations.

artículo científico publicado en 2013

Interaction of C70 fullerene with the Kv1.2 potassium channel

artículo científico publicado en 2012

Interaction of bombolitin II with a membrane-mimetic environment: an NMR and molecular dynamics simulation approach.

artículo científico publicado en 2002

Interaction of hydrophobic polymers with model lipid bilayers

artículo científico publicado en 2017

Interpretation of 2H-NMR experiments on the orientation of the transmembrane helix WALP23 by computer simulations.

artículo científico publicado en 2010

Lipid membranes as solvents for carbon nanoparticles

artículo científico publicado en 2014

MARTINI Coarse-Grained Models of Polyethylene and Polypropylene.

artículo científico publicado en 2015

Mechanism for translocation of fluoroquinolones across lipid membranes

Mechanism of Helix Nucleation and Propagation: Microscopic View from Microsecond Time Scale MD Simulations

scientific article published on 01 November 2005

Mechanism of taq DNA polymerase inhibition by fullerene derivatives: insight from computer simulations.

artículo científico publicado en 2012

Membrane protein dynamics from femtoseconds to seconds.

scientific article published on January 2010

Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins

artículo científico publicado en 2006

Membrane proteins diffuse as dynamic complexes with lipids.

artículo científico publicado en 2010

Modeling the effect of nano-sized polymer particles on the properties of lipid membranes

artículo científico publicado en 2014

Molecular characterization of a ligand-tethered parathyroid hormone receptor

artículo científico publicado en 2002

Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl.

artículo científico publicado en 2004

Molecular electrometer and binding of cations to phospholipid bilayers

artículo científico publicado en 2016

Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories

artículo científico publicado en 2008

On Atomistic Models for Molecular Oxygen

artículo científico publicado en 2016

On Atomistic and Coarse-Grained Models for C60 Fullerene

artículo científico publicado en 2012

Plasticity and conformational equilibria of influenza fusion peptides in model lipid bilayers

artículo científico publicado en 2014

Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials

artículo científico publicado en 2022

Polystyrene Nanoparticles Perturb Lipid Membranes

artículo científico publicado en 2013

Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations

artículo científico publicado en 2007

Quantification of Detergents Complexed with Membrane Proteins

artículo científico publicado en 2017

Role of Ligand Conformation on Nanoparticle-Protein Interactions

artículo científico publicado en 2019

Selective ligand-induced stabilization of active and desensitized parathyroid hormone type 1 receptor conformations

scientific article published on 09 July 2002

Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes

scientific article published on 24 April 2020

Stable polyglutamine dimers can contain β-hairpins with interdigitated side chains-but not α-helices, β-nanotubes, β-pseudohelices, or steric zippers

artículo científico publicado en 2014

Structural investigation of syringomycin-E using molecular dynamics simulation and NMR.

artículo científico publicado en 2006

The C-terminal Domains of Apoptotic BH3-only Proteins Mediate Their Insertion into Distinct Biological Membranes.

artículo científico publicado en 2016

The MARTINI Coarse-Grained Force Field: Extension to Proteins.

artículo científico publicado en 2008

The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations

scientific article published on 18 February 2014

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

artículo científico publicado en 2015

Transferable MARTINI Model of Poly(ethylene Oxide)

artículo científico publicado en 2018

Triacylglycerols sequester monotopic membrane proteins to lipid droplets

artículo científico publicado en 2020

Visualization of complex processes in lipid systems using computer simulations and molecular graphics

artículo científico publicado en 2009

Lista de obras de Luca Monticelli

A coarse-grained MARTINI model of polyethylene glycol and of polyoxyethylene alkyl ether surfactants

Anomalous and normal diffusion of proteins and lipids in crowded lipid membranes

Assessing polyglutamine conformation in the nucleating event by molecular dynamics simulations

Calculating the free energy of transfer of small solutes into a model lipid membrane: Comparison between metadynamics and umbrella sampling

Coarse-grained force fields for molecular simulations

Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case

Computer simulation study of fullerene translocation through lipid membranes

Conformational studies of a bombolitin III-derived peptide mimicking the four-helix bundle structural motif of proteins

Correction to "On Atomistic Models for Molecular Oxygen"

C₆₀ fullerene promotes lung monolayer collapse

Determination of solution conformations of PrP106-126, a neurotoxic fragment of prion protein, by 1H NMR and restrained molecular dynamics.

Effect of lipid peroxidation on the properties of lipid bilayers: a molecular dynamics study.

Folding and mis-folding of peptides and proteins: insights from molecular simulations.

Free Volume Theory Applied to Lateral Diffusion in Langmuir Monolayers: Atomistic Simulations for a Protein-Free Model of Lung Surfactant

Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers

Gold nanoparticles in model biological membranes: A computational perspective

Hydrophobic compounds reshape membrane domains

Improved Angle Potentials for Coarse-Grained Molecular Dynamics Simulations.

Interaction of C70 fullerene with the Kv1.2 potassium channel

Interaction of bombolitin II with a membrane-mimetic environment: an NMR and molecular dynamics simulation approach.

Interaction of hydrophobic polymers with model lipid bilayers

Interpretation of 2H-NMR experiments on the orientation of the transmembrane helix WALP23 by computer simulations.

Lipid membranes as solvents for carbon nanoparticles

MARTINI Coarse-Grained Models of Polyethylene and Polypropylene.

Mechanism for translocation of fluoroquinolones across lipid membranes

Mechanism of Helix Nucleation and Propagation: Microscopic View from Microsecond Time Scale MD Simulations

Mechanism of taq DNA polymerase inhibition by fullerene derivatives: insight from computer simulations.

Membrane protein dynamics from femtoseconds to seconds.

Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins

Membrane proteins diffuse as dynamic complexes with lipids.

Modeling the effect of nano-sized polymer particles on the properties of lipid membranes

Molecular characterization of a ligand-tethered parathyroid hormone receptor

Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl.

Molecular electrometer and binding of cations to phospholipid bilayers

Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories

On Atomistic Models for Molecular Oxygen

On Atomistic and Coarse-Grained Models for C60 Fullerene

Plasticity and conformational equilibria of influenza fusion peptides in model lipid bilayers

Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials

Polystyrene Nanoparticles Perturb Lipid Membranes

Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations

Quantification of Detergents Complexed with Membrane Proteins

Role of Ligand Conformation on Nanoparticle-Protein Interactions

Selective ligand-induced stabilization of active and desensitized parathyroid hormone type 1 receptor conformations

Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes

Stable polyglutamine dimers can contain β-hairpins with interdigitated side chains-but not α-helices, β-nanotubes, β-pseudohelices, or steric zippers

Structural investigation of syringomycin-E using molecular dynamics simulation and NMR.

The C-terminal Domains of Apoptotic BH3-only Proteins Mediate Their Insertion into Distinct Biological Membranes.

The MARTINI Coarse-Grained Force Field: Extension to Proteins.

The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

Transferable MARTINI Model of Poly(ethylene Oxide)

Triacylglycerols sequester monotopic membrane proteins to lipid droplets

Visualization of complex processes in lipid systems using computer simulations and molecular graphics