On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations.
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Structure, dynamics, and interaction of Mycobacterium tuberculosis (Mtb) DprE1 and DprE2 examined by molecular modeling, simulation, and electrostatic studiesConformational sampling and nucleotide-dependent transitions of the GroEL subunit probed by unbiased molecular dynamics simulationsMechanism of Displacement of a Catalytically Essential Loop from the Active Site of Mammalian Fructose-1,6-bisphosphataseComputational modeling of allosteric regulation in the hsp90 chaperones: a statistical ensemble analysis of protein structure networks and allosteric communications.Comparing molecular dynamics force fields in the essential subspace.Comparison of the Internal Dynamics of Metalloproteases Provides New Insights on Their Function and Evolution.Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network models.Computational identification of slow conformational fluctuations in proteinsJED: a Java Essential Dynamics Program for comparative analysis of protein trajectories.Small- and large-scale conformational changes of adenylate kinase: a molecular dynamics study of the subdomain motion and mechanicsIntegrating protein structural dynamics and evolutionary analysis with Bio3D.WEBnm@ v2.0: Web server and services for comparing protein flexibilityAllosteric communication pathways routed by Ca(2+)/Mg(2+) exchange in GCAP1 selectively switch target regulation modes.Computational modeling of allosteric communication reveals organizing principles of mutation-induced signaling in ABL and EGFR kinases.Structural and dynamical insight into thermally induced functional inactivation of firefly luciferaseSelective excitation of native fluctuations during thermal unfolding simulations: horse heart cytochrome c as a case study.Probing molecular mechanisms of the Hsp90 chaperone: biophysical modeling identifies key regulators of functional dynamics.Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study.Structural basis for the recognition in an idiotype-anti-idiotype antibody complex related to celiac disease.MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectoriesCommunication routes in ARID domains between distal residues in helix 5 and the DNA-binding loops.Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics.Cullin3-BTB interface: a novel target for stapled peptidesStructure and molecular mechanism of Bacillus anthracis cofactor-independent phosphoglycerate mutase: a crucial enzyme for spores and growing cells of Bacillus species.Longer simulations sample larger subspaces of conformations while maintaining robust mechanisms of motionImportance of long-time simulations for rare event sampling in zinc finger proteinsMolecular dynamics simulations of hemoglobin A in different states and bound to DPG: effector-linked perturbation of tertiary conformations and HbA concerted dynamicsKey intermolecular interactions in the E. coli 70S ribosome revealed by coarse-grained analysis.A systematic methodology for defining coarse-grained sites in large biomoleculesThe Molecular Mechanism of Opening the Helix Bundle Crossing (HBC) Gate of a Kir Channel.Focused functional dynamics of supramolecules by use of a mixed-resolution elastic network model.Principal component analysis: a method for determining the essential dynamics of proteins.Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics.Computational generation inhibitor-bound conformers of p38 MAP kinase and comparison with experiments.Structure-functional prediction and analysis of cancer mutation effects in protein kinases.The effect of protein conformational flexibility on the electronic properties of a chromophore.Dynamic properties of the N-terminal swapped dimer of ribonuclease A.An analysis of core deformations in protein superfamilies.Distributions of experimental protein structures on coarse-grained free energy landscapes.Rapid Characterization of Allosteric Networks with Ensemble Normal Mode Analysis
P2860
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P2860
On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations.
description
1999 nî lūn-bûn
@nan
1999年の論文
@ja
1999年学术文章
@wuu
1999年学术文章
@zh
1999年学术文章
@zh-cn
1999年学术文章
@zh-hans
1999年学术文章
@zh-my
1999年学术文章
@zh-sg
1999年學術文章
@yue
1999年學術文章
@zh-hant
name
On the convergence of the conf ...... olecular dynamics simulations.
@en
On the convergence of the conf ...... olecular dynamics simulations.
@nl
type
label
On the convergence of the conf ...... olecular dynamics simulations.
@en
On the convergence of the conf ...... olecular dynamics simulations.
@nl
prefLabel
On the convergence of the conf ...... olecular dynamics simulations.
@en
On the convergence of the conf ...... olecular dynamics simulations.
@nl
P2093
P1433
P1476
On the convergence of the conf ...... olecular dynamics simulations.
@en
P2093
P304
P356
10.1002/(SICI)1097-0134(19990901)36:4<419::AID-PROT5>3.3.CO;2-L
P407
P577
1999-09-01T00:00:00Z