BDflex: a method for efficient treatment of molecular flexibility in calculating protein-ligand binding rate constants from brownian dynamics simulations
about
Modeling protein association mechanisms and kineticsSubstrate tunnels in enzymes: structure-function relationships and computational methodologyTheoretical frameworks for multiscale modeling and simulationMultiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.Advanced molecular dynamics simulation methods for kinase drug discovery.Rate Constants and Mechanisms of Protein-Ligand Binding.A multiscale model for simulating binding kinetics of proteins with flexible linkers.Computational Approaches for Studying Drug Binding Kinetics
P2860
Q27022182-ECCA1BCC-13B8-4388-9DFA-A013062BB004Q28081510-2AB33A7D-6A6C-4F87-A374-42DA4975D3B7Q33693246-104F4CDE-6D5E-489A-9F21-3AE0CA26F10DQ35822656-ED77087A-0A6E-477E-A7BB-C277016E3DB4Q38800768-72F694A4-37A9-486E-9BB3-393F3ADAE5D7Q39219062-9495A444-7A2E-4BA9-9087-74C6EED0AF6EQ51082035-04066B77-77B4-431F-A67C-12871C8C9A9DQ57975272-D6DFF001-504C-42DA-B065-F2E2B8CC0B67
P2860
BDflex: a method for efficient treatment of molecular flexibility in calculating protein-ligand binding rate constants from brownian dynamics simulations
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh
2012年學術文章
@zh-hant
name
BDflex: a method for efficient ...... brownian dynamics simulations
@ast
BDflex: a method for efficient ...... brownian dynamics simulations
@en
type
label
BDflex: a method for efficient ...... brownian dynamics simulations
@ast
BDflex: a method for efficient ...... brownian dynamics simulations
@en
prefLabel
BDflex: a method for efficient ...... brownian dynamics simulations
@ast
BDflex: a method for efficient ...... brownian dynamics simulations
@en
P2860
P356
P1476
BDflex: a method for efficient ...... brownian dynamics simulations
@en
P2093
Nicholas Greives
P2860
P304
P356
10.1063/1.4756913
P407
P577
2012-10-01T00:00:00Z