Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulations
about
Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme.Introducing sampling entropy in repository based adaptive umbrella sampling.Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: quantum mechanical/molecular mechanical free energy simulationsA New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations.Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.Roadmaps through free energy landscapes calculated using the multi-dimensional vFEP approach.
P2860
Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulations
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on May 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Determination of free energy p ...... d quasiequilibrium simulations
@en
Determination of free energy p ...... quasiequilibrium simulations.
@nl
type
label
Determination of free energy p ...... d quasiequilibrium simulations
@en
Determination of free energy p ...... quasiequilibrium simulations.
@nl
prefLabel
Determination of free energy p ...... d quasiequilibrium simulations
@en
Determination of free energy p ...... quasiequilibrium simulations.
@nl
P2860
P356
P1476
Determination of free energy p ...... d quasiequilibrium simulations
@en
P2093
Yingkai Zhang
P2860
P304
P356
10.1063/1.2920476
P407
P577
2008-05-01T00:00:00Z