Nudged-elastic band used to find reaction coordinates based on the free energy.
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Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsKinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps.Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p-benzoquinone and phenol fragmentation in mass spectrometry.Variationally Optimized Free-Energy Flooding for Rate Calculation.
P2860
Nudged-elastic band used to find reaction coordinates based on the free energy.
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Nudged-elastic band used to find reaction coordinates based on the free energy.
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Nudged-elastic band used to find reaction coordinates based on the free energy.
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type
label
Nudged-elastic band used to find reaction coordinates based on the free energy.
@en
Nudged-elastic band used to find reaction coordinates based on the free energy.
@nl
prefLabel
Nudged-elastic band used to find reaction coordinates based on the free energy.
@en
Nudged-elastic band used to find reaction coordinates based on the free energy.
@nl
P2093
P2860
P356
P1476
Nudged-elastic band used to find reaction coordinates based on the free energy.
@en
P2093
Axel Arnold
Johannes Zeman
Matthias U Bohner
P2860
P304
P356
10.1063/1.4865220
P407
P577
2014-02-01T00:00:00Z