MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
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Applying efficient implicit nongeometric constraints in alchemical free energy simulationsSHAKE parallelizationDistance and angular holonomic constraints in molecular simulations.Time reversible molecular dynamics algorithms with holonomic bond constraints in the NPH and NPT ensembles using molecular scaling.To probe interaction of morphine and IBNtxA with 7TM and 6TM variants of the human μ-opioid receptor using all-atom molecular dynamics simulations with an explicit membrane.Exact and efficient calculation of Lagrange multipliers in biological polymers with constrained bond lengths and bond angles: proteins and nucleic acids as example cases.Algorithm improvements for molecular dynamics simulations
P2860
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P2860
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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name
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@en
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@nl
type
label
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@en
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@nl
prefLabel
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@en
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@nl
P356
P1476
MILCH SHAKE: an efficient method for constraint dynamics applied to alkanes.
@en
P2093
P304
P356
10.1002/JCC.21237
P577
2009-11-01T00:00:00Z