Principal component analysis of native ensembles of biomolecular structures (PCA_NEST): insights into functional dynamics.
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Reaction trajectory revealed by a joint analysis of protein data bankChanges in dynamics upon oligomerization regulate substrate binding and allostery in amino acid kinase family membersCooperative macromolecular device revealed by meta-analysis of static and time-resolved structuresThe use of experimental structures to model protein dynamicsComputational modeling of allosteric regulation in the hsp90 chaperones: a statistical ensemble analysis of protein structure networks and allosteric communications.The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor bindingFree energies for coarse-grained proteins by integrating multibody statistical contact potentials with entropies from elastic network models.RNA polymerase II flexibility during translocation from normal mode analysis.In silico mechanistic analysis of IRF3 inactivation and high-risk HPV E6 species-dependent drug response.Computational modeling of allosteric communication reveals organizing principles of mutation-induced signaling in ABL and EGFR kinases.On the conservation of the slow conformational dynamics within the amino acid kinase family: NAGK the paradigm.Going beyond clustering in MD trajectory analysis: an application to villin headpiece folding.Using entropy maximization to understand the determinants of structural dynamics beyond native contact topologyNormal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.ProDy: protein dynamics inferred from theory and experiments.Molecular dynamics analysis reveals structural insights into mechanism of nicotine N-demethylation catalyzed by tobacco cytochrome P450 mono-oxygenaseLigand-induced protein responses and mechanical signal propagation described by linear response theoriesProbing molecular mechanisms of the Hsp90 chaperone: biophysical modeling identifies key regulators of functional dynamics.Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered proteinModels with energy penalty on interresidue rotation address insufficiencies of conventional elastic network modelsA novel hybrid dimension reduction technique for undersized high dimensional gene expression data sets using information complexity criterion for cancer classification.Molecular dynamics simulation reveals insights into the mechanism of unfolding by the A130T/V mutations within the MID1 zinc-binding Bbox1 domain.GeoPCA: a new tool for multivariate analysis of dihedral angles based on principal component geodesics.Improvements in GROMACS plugin for PyMOL including implicit solvent simulations and displaying results of PCA analysis.Functional polyesters enable selective siRNA delivery to lung cancer over matched normal cellsMolecular determinants of cadherin ideal bond formation: Conformation-dependent unbinding on a multidimensional landscape.iGNM 2.0: the Gaussian network model database for biomolecular structural dynamics.Identification of motions in membrane proteins by elastic network models and their experimental validation.Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations.A comparative analysis of the equilibrium dynamics of a designed protein inferred from NMR, X-ray, and computationsGlobal dynamics of proteins: bridging between structure and function.Structure-Encoded Global Motions and Their Role in Mediating Protein-Substrate Interactions.Adaptability of protein structures to enable functional interactions and evolutionary implications.DynOmics: dynamics of structural proteome and beyond.Structure-functional prediction and analysis of cancer mutation effects in protein kinases.Dynamic profile analysis to characterize dynamics-driven allosteric sites in enzymes.Spotting the difference in molecular dynamics simulations of biomolecules.Structural variability of C3larvin toxin. Intrinsic dynamics of the α/β fold of the C3-like group of mono-ADP-ribosyltransferase toxins.Discovery of Rab1 binding sites using an ensemble of clustering methods.A flexible docking scheme to explore the binding selectivity of PDZ domains.
P2860
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P2860
Principal component analysis of native ensembles of biomolecular structures (PCA_NEST): insights into functional dynamics.
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Principal component analysis o ...... ghts into functional dynamics.
@ast
Principal component analysis o ...... ghts into functional dynamics.
@en
type
label
Principal component analysis o ...... ghts into functional dynamics.
@ast
Principal component analysis o ...... ghts into functional dynamics.
@en
prefLabel
Principal component analysis o ...... ghts into functional dynamics.
@ast
Principal component analysis o ...... ghts into functional dynamics.
@en
P2093
P2860
P356
P1433
P1476
Principal component analysis o ...... ghts into functional dynamics.
@en
P2093
Akio Kitao
Lee-Wei Yang
P2860
P304
P356
10.1093/BIOINFORMATICS/BTP023
P407
P50
P577
2009-01-15T00:00:00Z