Can principal components yield a dimension reduced description of protein dynamics on long time scales?
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Dynamics, flexibility and ligand-induced conformational changes in biological macromolecules: a computational approachDiscovering conformational sub-states relevant to protein functionIn silico phosphorylation of the autoinhibited form of p47(phox): insights into the mechanism of activationA principal component analysis of the dynamics of subdomains and binding sites in human serum albumin.Structure-based network analysis of activation mechanisms in the ErbB family of receptor tyrosine kinases: the regulatory spine residues are global mediators of structural stability and allosteric interactions.Computational identification of slow conformational fluctuations in proteinsInsight into virus encapsulation mechanism through in silico interaction study between coat protein and RNA operator loops of Sesbania mosaic virus.Molecular simulations illuminate the role of regulatory components of the RNA polymerase from the hepatitis C virus in influencing protein structure and dynamicsPrincipal component and clustering analysis on molecular dynamics data of the ribosomal L11·23S subdomainTopological obstructions in the way of data-driven collective variables.Algorithmic dimensionality reduction for molecular structure analysisRole of altered sialylation of the I-like domain of beta1 integrin in the binding of fibronectin to beta1 integrin: thermodynamics and conformational analysesQAARM: quasi-anharmonic autoregressive model reveals molecular recognition pathways in ubiquitinAtomistic account of structural and dynamical changes induced by small binders in the double helix of a short DNA.Coarse-grained biomolecular simulation with REACH: realistic extension algorithm via covariance Hessian.Early Events in the Amyloid Formation of the A546T Mutant of Transforming Growth Factor β-Induced Protein in Corneal Dystrophies Compared to the Nonfibrillating R555W and R555Q MutantsHierarchical organization of eglin c native state dynamics is shaped by competing direct and water-mediated interactions.Detecting intrinsic slow variables in stochastic dynamical systems by anisotropic diffusion maps.Thumb inhibitor binding eliminates functionally important dynamics in the hepatitis C virus RNA polymerase.Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics.Charting molecular free-energy landscapes with an atlas of collective variables.Transform and relax sampling for highly anisotropic systems: application to protein domain motion and folding.Physical properties of the HIV-1 capsid from all-atom molecular dynamics simulations.Computational study on the intramolecular self-organization of the macrorings of some 'giant' cyclodextrins (CD(n), n = 40, 70, 85, 100).Coarse-graining protein structures with local multivariate features from molecular dynamicsEnsemble-based modeling and rigidity decomposition of allosteric interaction networks and communication pathways in cyclin-dependent kinases: Differentiating kinase clients of the Hsp90-Cdc37 chaperone.Application of principal component analysis in protein unfolding: an all-atom molecular dynamics simulation study.Diffusion Monte Carlo study on temporal evolution of entropy and free energy in nonequilibrium processes.Principal component and normal mode analysis of proteins; a quantitative comparison using the GroEL subunit.Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations.Dihedral angle principal component analysis of molecular dynamics simulations.
P2860
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P2860
Can principal components yield a dimension reduced description of protein dynamics on long time scales?
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
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2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
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2006年學術文章
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2006年學術文章
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name
Can principal components yield ...... dynamics on long time scales?
@en
Can principal components yield ...... dynamics on long time scales?
@nl
type
label
Can principal components yield ...... dynamics on long time scales?
@en
Can principal components yield ...... dynamics on long time scales?
@nl
prefLabel
Can principal components yield ...... dynamics on long time scales?
@en
Can principal components yield ...... dynamics on long time scales?
@nl
P356
P1476
Can principal components yield ...... dynamics on long time scales?
@en
P2093
Helmut Grubmüller
Oliver F Lange
P304
22842-22852
P356
10.1021/JP062548J
P407
P577
2006-11-01T00:00:00Z