Lista de obras -

Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm

artículo científico publicado en 2016

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

artículo científico publicado en 2016

Clustering and dynamics of crowded proteins near membranes and their influence on membrane bending

artículo científico publicado en 2019

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations

artículo científico publicado en 2017

Determination of Hydrophobic Lengths of Membrane Proteins with the HDGB Implicit Membrane Model

artículo científico publicado en 2017

Direct generation of protein conformational ensembles via machine learning

artículo científico publicado en 2023

Discrimination of Native-like States of Membrane Proteins with Implicit Membrane-based Scoring Functions.

artículo científico publicado en 2017

Driven to near-experimental accuracy by refinement via molecular dynamics simulations

scientific article published on 24 June 2019

Experimental accuracy in protein structure refinement via molecular dynamics simulations

artículo científico publicado en 2018

High-accuracy protein structures by combining machine-learning with physics-based refinement

artículo científico publicado en 2019

Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields

artículo científico publicado en 2017

Improved Force Fields for Peptide Nucleic Acids with Optimized Backbone Torsion Parameters

artículo científico publicado en 2018

Improved Sampling Strategies for Protein Model Refinement Based on Molecular Dynamics Simulation

artículo científico publicado en 2021

Modeling of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Proteins by Machine Learning and Physics-Based Refinement

artículo científico publicado en 2020

Multi‐state modeling of G‐protein coupled receptors at experimental accuracy

artículo científico publicado en 2022

Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning

scientific article published on 27 December 2018

Role of protein interactions in stabilizing canonical DNA features in simulations of DNA in crowded environments

artículo científico publicado en 2018

Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

artículo científico publicado en 2017

Structure refinement of membrane proteins via molecular dynamics simulations

scientific article published on 06 May 2018

The phage L capsid decoration protein has a novel OB-fold and an unusual capsid binding strategy

artículo científico publicado en 2019

Thermal Stability of Peptide Nucleic Acid Complexes

artículo científico publicado en 2019

What makes it difficult to refine protein models further via molecular dynamics simulations?

artículo científico publicado en 2017

Lista de obras de

Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

Clustering and dynamics of crowded proteins near membranes and their influence on membrane bending

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations

Determination of Hydrophobic Lengths of Membrane Proteins with the HDGB Implicit Membrane Model

Direct generation of protein conformational ensembles via machine learning

Discrimination of Native-like States of Membrane Proteins with Implicit Membrane-based Scoring Functions.

Driven to near-experimental accuracy by refinement via molecular dynamics simulations

Experimental accuracy in protein structure refinement via molecular dynamics simulations

High-accuracy protein structures by combining machine-learning with physics-based refinement

Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields

Improved Force Fields for Peptide Nucleic Acids with Optimized Backbone Torsion Parameters

Improved Sampling Strategies for Protein Model Refinement Based on Molecular Dynamics Simulation

Modeling of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Proteins by Machine Learning and Physics-Based Refinement

Multi‐state modeling of G‐protein coupled receptors at experimental accuracy

Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning

Role of protein interactions in stabilizing canonical DNA features in simulations of DNA in crowded environments

Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

Structure refinement of membrane proteins via molecular dynamics simulations

The phage L capsid decoration protein has a novel OB-fold and an unusual capsid binding strategy

Thermal Stability of Peptide Nucleic Acid Complexes

What makes it difficult to refine protein models further via molecular dynamics simulations?