Weighted-ensemble Brownian dynamics simulations for protein association reactions.
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Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsEfficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein-Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide.Exploring the conformational transitions of biomolecular systems using a simple two-state anisotropic network modelEfficient molecular dynamics scheme for the calculation of dopant profiles due to ion implantationPagP Crystallized from SDS/Cosolvent Reveals the Route for Phospholipid Access to the Hydrocarbon RulerBimolecular reaction simulation using Weighted Ensemble Brownian dynamics and the University of Houston Brownian Dynamics programPath Similarity Analysis: A Method for Quantifying Macromolecular PathwaysUnbiased Rare Event Sampling in Spatial Stochastic Systems Biology Models Using a Weighted Ensemble of TrajectoriesUsing Markov state models to study self-assemblyStructural dissimilarity sampling with dynamically self-guiding selection.pH-dependent transient conformational states control optical properties in cyan fluorescent proteinInternal coordinate molecular dynamics: a foundation for multiscale dynamicsZipping and unzipping of adenylate kinase: atomistic insights into the ensemble of open<-->closed transitions.Sequential data assimilation for single-molecule FRET photon-counting data.Predicting Protein-protein Association Rates using Coarse-grained Simulation and Machine Learning.Connective Tissue Growth Factor (CTGF/CCN2) enhances lactogenic differentiation of mammary epithelial cells via integrin-mediated cell adhesionElectrostatic Steering Accelerates C3d:CR2 Association.Finding multiple reaction pathways via global optimization of action.Understanding ligand-receptor non-covalent binding kinetics using molecular modeling.Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactionsSampling rare events in nonequilibrium and nonstationary systems.Biased Brownian dynamics for rate constant calculation.Effect of anisotropic reactivity on the rate of diffusion-controlled reactions: comparative analysis of the models of patches and hemispheres.Robust biased Brownian dynamics for rate constant calculationBrowndye: A Software Package for Brownian DynamicsAWE-WQ: fast-forwarding molecular dynamics using the accelerated weighted ensemble.Tunable, mixed-resolution modeling using library-based Monte Carlo and graphics processing units.Efficient in silico exploration of RNA interhelical conformations using Euler angles and WExploreSimulations of the alternating access mechanism of the sodium symporter Mhp1.A practical perspective on the implementation of hyperdynamics for accelerated simulation.A comparison of weighted ensemble and Markov state model methodologies.Simulating Current-Voltage Relationships for a Narrow Ion Channel Using the Weighted Ensemble Method.WESTPA: an interoperable, highly scalable software package for weighted ensemble simulation and analysisThe role of domain: domain interactions versus domain: water interactions in the coarse-grained simulations of the E1P to E2P transitions in Ca-ATPase (SERCA).Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelEfficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulin.Brownian dynamics simulations of protein folding: access to milliseconds time scale and beyondCoupled folding and binding with 2D Window-Exchange Umbrella Sampling.Perspective: Computer simulations of long time dynamicsSimulating rare events using a weighted ensemble-based string method.
P2860
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P2860
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
description
1996 nî lūn-bûn
@nan
1996 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1996 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1996年の論文
@ja
1996年論文
@yue
1996年論文
@zh-hant
1996年論文
@zh-hk
1996年論文
@zh-mo
1996年論文
@zh-tw
1996年论文
@wuu
name
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@ast
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@en
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@nl
type
label
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@ast
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@en
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@nl
prefLabel
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@ast
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@en
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@nl
P2860
P1433
P1476
Weighted-ensemble Brownian dynamics simulations for protein association reactions.
@en
P2860
P304
P356
10.1016/S0006-3495(96)79552-8
P407
P577
1996-01-01T00:00:00Z