Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
about
Molecular docking and structure-based drug design strategiesCalculating ensemble averaged descriptions of protein rigidity without samplingCoarse-Grained Models for Protein-Cell Membrane Interactions.Ensemble properties of network rigidity reveal allosteric mechanisms.JGromacs: a Java package for analyzing protein simulations.Computational and synthetic studies towards improving rescinnamine as an inducer of MSH2-dependent apoptosis in cancer treatmentOptimization of an elastic network augmented coarse grained model to study CCMV capsid deformationPoint charges optimally placed to represent the multipole expansion of charge distributions.Bioinformatics and variability in drug response: a protein structural perspective.Destabilization of the MutSα's protein-protein interface due to binding to the DNA adduct induced by anticancer agent carboplatin via molecular dynamics simulations.Modern approaches to accelerate discovery of new antischistosomal drugs.Visualizing ensembles in structural biology.Revision of AMBER Torsional Parameters for RNA Improves Free Energy Predictions for Tetramer Duplexes with GC and iGiC Base Pairs.Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα-DNA recognition complex.Insights into protein - DNA interactions, stability and allosteric communications: a computational study of mutSα-DNA recognition complexesThe molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes.Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge.Computational approaches for deciphering the equilibrium and kinetic properties of iron transport proteins.Visualizing correlated motion with HDBSCAN clustering.All-atom molecular dynamics comparison of disease-associated zinc fingers.Warfarin and vitamin K epoxide reductase: a molecular accounting for observed inhibition.Mechanistic insights into thrombin's switch between "slow" and "fast" forms.Molecular dynamics simulations of aptamer-binding reveal generalized allostery in thrombin.Insights into the Folding of Disulfide-Rich μ-ConotoxinsMolecular Modeling Applied to Nucleic Acid-Based Molecule Development
P2860
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P2860
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
@pt
bilimsel makale
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scientific article published on December 2010
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
@en
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
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type
label
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
@en
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
@nl
prefLabel
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
@en
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
@nl
P2860
P1476
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery.
@en
P2093
Freddie R Salsbury
P2860
P304
P356
10.1016/J.COPH.2010.09.016
P577
2010-12-01T00:00:00Z