gen.parRep: A first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems

Published 2019 View Full Article

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Title
gen.parRep: A first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems
Authors
Keywords
Molecular simulations, Langevin dynamics, Quasi-stationary distributions, Metastability, Protein–Ligand dissociation, High performance computing
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume -, Issue -, Pages -
Publisher
Elsevier BV
Online
2019-01-26
DOI
10.1016/j.cpc.2019.01.005

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