Path finding on high-dimensional free energy landscapes.
about
Fast exploration of an optimal path on the multidimensional free energy surfaceComputational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular SystemsThe HAMP signal relay domain adopts multiple conformational states through collective piston and tilt motionsString method for calculation of minimum free-energy paths in Cartesian space in freely-tumbling systems.Liberation of H2 from (o-C6H4Me)3P-H(+) + (-)H-B(p-C6F4H)3 ion-pair: A transition-state in the minimum energy path versus the transient species in Born-Oppenheimer molecular dynamics.ATP dependent NS3 helicase interaction with RNA: insights from molecular simulations.Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation.Constructing a multidimensional free energy surface like a spider weaving a web.Efficiently finding the minimum free energy path from steepest descent path.Atomic-resolution dissection of the energetics and mechanism of isomerization of hydrated ATP-Mg(2+) through the SOMA string method.Constructing Markov State Models to elucidate the functional conformational changes of complex biomolecules
P2860
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P2860
Path finding on high-dimensional free energy landscapes.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年學術文章
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name
Path finding on high-dimensional free energy landscapes.
@en
Path finding on high-dimensional free energy landscapes.
@nl
type
label
Path finding on high-dimensional free energy landscapes.
@en
Path finding on high-dimensional free energy landscapes.
@nl
prefLabel
Path finding on high-dimensional free energy landscapes.
@en
Path finding on high-dimensional free energy landscapes.
@nl
P2860
P1476
Path finding on high-dimensional free energy landscapes.
@en
P2093
Grisell Díaz Leines
P2860
P304
P356
10.1103/PHYSREVLETT.109.020601
P407
P50
P577
2012-07-09T00:00:00Z