Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
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Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFRUtilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugsDecoding the Interactions Regulating the Active State Mechanics of Eukaryotic Protein KinasesDistal loop flexibility of a regulatory domain modulates dynamics and activity of C-terminal SRC kinase (csk)Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulations.Finding semirigid domains in biomolecules by clustering pair-distance variationsDetecting Allosteric Networks Using Molecular Dynamics SimulationComputational and Experimental Characterization of Patient Derived Mutations Reveal an Unusual Mode of Regulatory Spine Assembly and Drug Sensitivity in EGFR Kinase.Dynamic architecture of a protein kinase.ENCORE: Software for Quantitative Ensemble Comparison.Effects of MacroH2A and H2A.Z on Nucleosome Dynamics as Elucidated by Molecular Dynamics Simulations.The role of tyrosine sulfation in the dimerization of the CXCR4:SDF-1 complex.pH-replica exchange molecular dynamics in proteins using a discrete protonation method.Studying the role of cooperative hydration in stabilizing folded protein states.Discerning intersecting fusion-activation pathways in the Nipah virus using machine learning.Mutation of a kinase allosteric node uncouples dynamics linked to phosphotransfer.Current and emerging opportunities for molecular simulations in structure-based drug design.Cancer-associated arginine-to-histidine mutations confer a gain in pH sensing to mutant proteins.Allosteric Control of a Plant Receptor Kinase through S-Glutathionylation.Whole-genome single nucleotide variant distribution on genomic regions and its relationship to major depression.Elucidating the energetic contributions to the binding free energy.R248Q mutation--Beyond p53-DNA binding.
P2860
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P2860
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
description
2012 nî lūn-bûn
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
@zh-hk
2012年論文
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2012年論文
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2012年论文
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name
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@ast
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@en
type
label
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@ast
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@en
prefLabel
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@ast
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@en
P2093
P2860
P356
P1476
Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.
@en
P2093
Abriela Barreiro
Christopher L McClendon
P2860
P304
P356
10.1021/CT300008D
P577
2012-04-13T00:00:00Z