Fluctuations and correlations in crystalline protein dynamics: a simulation analysis of staphylococcal nuclease
about
Conformational exchange in a membrane transport protein is altered in protein crystals.Dynamics may significantly influence the estimation of interatomic distances in biomolecular X-ray structuresX-ray Scattering Studies of Protein Structural Dynamics.Ensemble MD simulations restrained via crystallographic data: accurate structure leads to accurate dynamicsMeasuring and modeling diffuse scattering in protein X-ray crystallography.Optimal modeling of atomic fluctuations in protein crystal structures for weak crystal contact interactions.FF12MC: A revised AMBER forcefield and new protein simulation protocol.Membrane protein dynamics and detergent interactions within a crystal: a simulation study of OmpA.Protein structural variation in computational models and crystallographic data.Protein dynamics and stability: the distribution of atomic fluctuations in thermophilic and mesophilic dihydrofolate reductase derived using elastic incoherent neutron scattering.Packing interface energetics in different crystal forms of the λ Cro dimer.Algorithmic dimensionality reduction for molecular structure analysisDetermination of ensemble-average pairwise root mean-square deviation from experimental B-factors.Evidence of functional protein dynamics from X-ray crystallographic ensembles.Diffuse X-ray scattering to model protein motionsWater in the active site of ketosteroid isomerase.Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering.Quest for spatially correlated fluctuations in the FMO light-harvesting complex.Effects of surface water on protein dynamics studied by a novel coarse-grained normal mode approach.Use of multiple picosecond high-mass molecular dynamics simulations to predict crystallographic B-factors of folded globular proteins.All-atom contact model for understanding protein dynamics from crystallographic B-factorsGenetic determinants restricting the reassortment of heterologous NSP2 genes into the simian rotavirus SA11 genome.Inter-aromatic distances in Geobacter sulfurreducens pili relevant to biofilm charge transport.Solution and crystal molecular dynamics simulation study of m4-cyanovirin-N mutants complexed with di-mannose.Testing the mutual information expansion of entropy with multivariate Gaussian distributions.Bringing diffuse X-ray scattering into focus.Elastic and conformational softness of a globular protein.Intermolecular correlations are necessary to explain diffuse scattering from protein crystals.Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering.
P2860
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P2860
Fluctuations and correlations in crystalline protein dynamics: a simulation analysis of staphylococcal nuclease
description
2005 nî lūn-bûn
@nan
2005 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Fluctuations and correlations ...... sis of staphylococcal nuclease
@ast
Fluctuations and correlations ...... sis of staphylococcal nuclease
@en
type
label
Fluctuations and correlations ...... sis of staphylococcal nuclease
@ast
Fluctuations and correlations ...... sis of staphylococcal nuclease
@en
prefLabel
Fluctuations and correlations ...... sis of staphylococcal nuclease
@ast
Fluctuations and correlations ...... sis of staphylococcal nuclease
@en
P2860
P1433
P1476
Fluctuations and correlations ...... sis of staphylococcal nuclease
@en
P2093
Lars Meinhold
P2860
P304
P356
10.1529/BIOPHYSJ.104.056101
P407
P577
2005-01-28T00:00:00Z