Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics.
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Fast exploration of an optimal path on the multidimensional free energy surfaceRecent developments in methods for identifying reaction coordinates.Resolving apparent conflicts between theoretical and experimental models of phosphate monoester hydrolysisThe Competing Mechanisms of Phosphate Monoester Dianion HydrolysisExact Relation between Potential of Mean Force and Free-Energy ProfileA benchmark for reaction coordinates in the transition path ensembleReducing the cost of evaluating the committor by a fitting procedure.Constructing a multidimensional free energy surface like a spider weaving a web.Molecular Mechanism of ATP Hydrolysis in an ABC Transporter
P2860
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P2860
Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Exploring the Multidimensional ...... th Constrained QM/MM Dynamics.
@en
type
label
Exploring the Multidimensional ...... th Constrained QM/MM Dynamics.
@en
prefLabel
Exploring the Multidimensional ...... th Constrained QM/MM Dynamics.
@en
P2093
P356
P1476
Exploring the Multidimensional ...... th Constrained QM/MM Dynamics.
@en
P2093
Jürgen Schlitter
Till Rudack
P304
P356
10.1021/CT300022M
P577
2012-05-29T00:00:00Z