ReaDDy 2: Fast and flexible software framework for interacting-particle reaction dynamics.

Interacting-particle reaction dynamics (iPRD) combines the simulation of dynamical trajectories of interacting particles as in molecular dynamics (MD) simulations with reaction kinetics, in which particles appear, disappear, or change their type and interactions based on a set of reaction rules. Thi...

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Bibliographic Details
Main Authors: Moritz Hoffmann, Christoph Fröhner, Frank Noé
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2019-02-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1006830

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