Lista de obras - Matteo Salvalaglio - Dominio Público Uruguay

1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics

artículo científico publicado en 2014

A two level hierarchical model of protein retention in ion exchange chromatography.

artículo científico publicado en 2015

Analyzing and Driving Cluster Formation in Atomistic Simulations.

artículo científico publicado en 2017

Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

scientific article published on 10 March 2014

Building maps in collective variable space

scientific article published on 01 September 2018

CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition

artículo científico publicado en 2017

Communication: Role of explicit water models in the helix folding/unfolding processes

artículo científico publicado en 2016

Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation.

artículo científico publicado en 2017

Controlling and predicting crystal shapes: the case of urea.

artículo científico publicado en 2013

DeepIce: A Deep Neural Network Approach To Identify Ice and Water Molecules

artículo científico publicado en 2019

Determination of energies and sites of binding of PFOA and PFOS to human serum albumin.

artículo científico publicado en 2010

Diffusion and aggregation of sodium fluorescein in aqueous solutions

artículo científico publicado en 2011

Dynamics and thermodynamics of Ibuprofen conformational isomerism at the crystal/solution interface

artículo científico publicado en 2018

Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies

artículo científico publicado en 2010

Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations

Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution.

artículo científico publicado en 2017

Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps

artículo científico publicado en 2015

Metadynamics studies of crystal nucleation

artículo científico publicado en 2015

Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations

artículo científico publicado en 2022

Molecular Level Understanding of the Free Energy Landscape in Early Stages of MOF Nucleation

Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation

scientific article published on 29 March 2019

Molecular modeling of protein A affinity chromatography.

artículo científico publicado en 2009

Molecular modeling to rationalize ligand-support interactions in affinity chromatography

scientific article published on 02 December 2011

Molecular-dynamics simulations of urea nucleation from aqueous solution

artículo científico publicado en 2014

Nucleation in complex multi-component and multi-phase systems: general discussion

artículo científico publicado en 2015

Nucleation of Biomolecular Condensates from Finite-Sized Simulations

artículo científico publicado en 2023

On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units

artículo científico publicado en 2019

On the parallelism between the mechanisms behind chromatography and drug delivery: the role of interactions with a stationary phase

artículo científico publicado en 2017

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations ⬇️

artículo científico publicado en 2016

Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction

Solvent Dynamics and Thermodynamics at the Crystal-Solution Interface of Ibuprofen

artículo científico publicado en 2019

Solvent and additive interactions as determinants in the nucleation pathway: general discussion

Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG

artículo científico publicado en 2009

Structural refinement of protein A mimetic peptide

artículo científico publicado en 2011

Synthetic design of growth factor sequestering extracellular matrix mimetic hydrogel for promoting in vivo bone formation.

artículo científico publicado en 2018

Tackling amyloidogenesis in Alzheimer's disease with A2V variants of Amyloid-β.

artículo científico publicado en 2016

Time-independent free energies from metadynamics via mean force integration

artículo científico publicado en 2019

Uncovering molecular details of urea crystal growth in the presence of additives

artículo científico publicado en 2012

Understanding ligand-protein interactions in affinity membrane chromatography for antibody purification.

artículo científico publicado en 2009

Urea homogeneous nucleation mechanism is solvent dependent

artículo científico publicado en 2015

Lista de obras de Matteo Salvalaglio

1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics

A two level hierarchical model of protein retention in ion exchange chromatography.

Analyzing and Driving Cluster Formation in Atomistic Simulations.

Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

Building maps in collective variable space

CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition

Communication: Role of explicit water models in the helix folding/unfolding processes

Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation.

Controlling and predicting crystal shapes: the case of urea.

DeepIce: A Deep Neural Network Approach To Identify Ice and Water Molecules

Determination of energies and sites of binding of PFOA and PFOS to human serum albumin.

Diffusion and aggregation of sodium fluorescein in aqueous solutions

Dynamics and thermodynamics of Ibuprofen conformational isomerism at the crystal/solution interface

Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies

Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations

Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution.

Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps

Metadynamics studies of crystal nucleation

Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations

Molecular Level Understanding of the Free Energy Landscape in Early Stages of MOF Nucleation

Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation

Molecular modeling of protein A affinity chromatography.

Molecular modeling to rationalize ligand-support interactions in affinity chromatography

Molecular-dynamics simulations of urea nucleation from aqueous solution

Nucleation in complex multi-component and multi-phase systems: general discussion

Nucleation of Biomolecular Condensates from Finite-Sized Simulations

On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units

On the parallelism between the mechanisms behind chromatography and drug delivery: the role of interactions with a stationary phase

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations ⬇️

Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction

Solvent Dynamics and Thermodynamics at the Crystal-Solution Interface of Ibuprofen

Solvent and additive interactions as determinants in the nucleation pathway: general discussion

Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG

Structural refinement of protein A mimetic peptide

Synthetic design of growth factor sequestering extracellular matrix mimetic hydrogel for promoting in vivo bone formation.

Tackling amyloidogenesis in Alzheimer's disease with A2V variants of Amyloid-β.

Time-independent free energies from metadynamics via mean force integration

Uncovering molecular details of urea crystal growth in the presence of additives

Understanding ligand-protein interactions in affinity membrane chromatography for antibody purification.

Urea homogeneous nucleation mechanism is solvent dependent