Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model.
about
Protein conformational dynamics in the mechanism of HIV-1 protease catalysisThe role of oligomerization and cooperative regulation in protein function: the case of tryptophan synthaseHIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics.A force field for virtual atom molecular mechanics of proteinsApproximate reconstruction of continuous spatially complex domain motions by multialignment NMR residual dipolar couplings.Kinetic characterization of the critical step in HIV-1 protease maturationGated Diffusion-controlled ReactionsElectrostatic Steering Accelerates C3d:CR2 Association.Substrate induced population shifts and stochastic gating in the PBCV-1 mRNA capping enzymeUnderstanding ligand-receptor non-covalent binding kinetics using molecular modeling.Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease.Browndye: A Software Package for Brownian DynamicsTheory and simulation on the kinetics of protein-ligand binding coupled to conformational change.Insights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations.Theory and simulation of diffusion-influenced, stochastically gated ligand binding to buried sites.Hierarchical Order Parameters for Macromolecular Assembly Simulations I: Construction and Dynamical Properties of Order ParametersMolecular dynamics simulation in virus research.Enzyme Tunnels and Gates As Relevant Targets in Drug Design.Dynamics of the acetylcholinesterase tetramer.Switches of hydrogen bonds during ligand-protein association processes determine binding kinetics.Targeting structural flexibility in HIV-1 protease inhibitor binding.Atomistic simulations of the HIV-1 protease folding inhibition.Assessing the two-body diffusion tensor calculated by the bead modelsDiffusional channeling in the sulfate-activating complex: combined continuum modeling and coarse-grained brownian dynamics studiesNMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulationsSpace warping order parameters and symmetry: application to multiscale simulation of macromolecular assemblies.Gates of enzymes.Coarse-grained models reveal functional dynamics--II. Molecular dynamics simulation at the coarse-grained level--theories and biological applications.The role of long-range intermolecular interactions in discovery of new drugs.Rate Constants and Mechanisms of Protein-Ligand Binding.Method to Predict Crowding Effects by Postprocessing Molecular Dynamics Trajectories: Application to the Flap Dynamics of HIV-1 Protease.Distributions of experimental protein structures on coarse-grained free energy landscapes.Selection of optimal variants of Gō-like models of proteins through studies of stretchingForced Unfolding Mechanism of Bacteriorhodopsin as Revealed by Coarse-Grained Molecular Dynamics.Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools.Ligand Binding Pathways and Conformational Transitions of the HIV Protease.DMSO enhanced conformational switch of an interfacial enzyme.Computational Approaches for Studying Drug Binding Kinetics
P2860
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P2860
Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model.
description
2006 nî lūn-bûn
@nan
2006 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի մարտին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@ast
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@en
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@nl
type
label
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@ast
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@en
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@nl
prefLabel
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@ast
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@en
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@nl
P2860
P50
P1433
P1476
Gated binding of ligands to HI ...... ons in a coarse-grained model.
@en
P2093
Chia-En Chang
P2860
P304
P356
10.1529/BIOPHYSJ.105.074575
P407
P577
2006-03-13T00:00:00Z