Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.
about
Predicting Protein-protein Association Rates using Coarse-grained Simulation and Machine Learning.Electrostatic Steering Accelerates C3d:CR2 Association.Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics.Two Relations to Estimate Membrane Permeability Using MilestoningPath-sampling strategies for simulating rare events in biomolecular systems.Rate Constants and Mechanisms of Protein-Ligand Binding.Molecular Simulations Reveal an Unresolved Conformation of the Type IA Protein Kinase A Regulatory Subunit and Suggest Its Role in the cAMP Regulatory Mechanism.Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time.A new paradigm for atomically detailed simulations of kinetics in biophysical systems.Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding.
P2860
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P2860
Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@ast
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@en
type
label
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@ast
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@en
prefLabel
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@ast
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@en
P2860
P1476
Multiscale Estimation of Bindi ...... ular Dynamics and Milestoning.
@en
P2093
Lane W Votapka
Rommie E Amaro
P2860
P304
P356
10.1371/JOURNAL.PCBI.1004381
P577
2015-10-27T00:00:00Z