Improving the efficiency of the NEB reaction path finding algorithm.

Improving the efficiency of the NEB reaction path finding algorithm.

Item
http://www.wikidata.org/entity/Q51626454
Conformational Transition Pathways of Epidermal Growth Factor Receptor Kinase Domain from Multiple Molecular Dynamics Simulations and Bayesian Clustering.PyCPR - a python-based implementation of the Conjugate Peak Refinement (CPR) algorithm for finding transition state structures.Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints.PathOpt--a global transition state search approach: outline of algorithm.A hybrid elastic band string algorithm for studies of enzymatic reactions.Efficient solvent boundary potential for hybrid potential simulations.A hierarchical transition state search algorithm.Improved constrained optimization method for reaction-path determination in the generalized hybrid orbital quantum mechanical/molecular mechanical calculations.
P2860

Improving the efficiency of the NEB reaction path finding algorithm.

Item
http://www.wikidata.org/entity/Q51626454
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
@zh-cn
2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年學術文章
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2008年學術文章
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name
Improving the efficiency of the NEB reaction path finding algorithm.
@en
Improving the efficiency of the NEB reaction path finding algorithm.
@nl
type
label
Improving the efficiency of the NEB reaction path finding algorithm.
@en
Improving the efficiency of the NEB reaction path finding algorithm.
@nl
prefLabel
Improving the efficiency of the NEB reaction path finding algorithm.
@en
Improving the efficiency of the NEB reaction path finding algorithm.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Improving the efficiency of the NEB reaction path finding algorithm.
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698