Bimolecular reaction simulation using Weighted Ensemble Brownian dynamics and the University of Houston Brownian Dynamics program.

We discuss here the implementation of the Weighted Ensemble Brownian (WEB) dynamics algorithm of Huber and Kim in the University of Houston Brownian Dynamics (UHBD) suite of programs and its application to bimolecular association problems. WEB dynamics is a biased Brownian dynamics (BD) algorithm th...

Description complète

Enregistré dans:
Détails bibliographiques
Auteurs principaux: Rojnuckarin, A, Livesay, D R, Subramaniam, S
Format: Artigo
Langue:Inglês
Publié: 2000
Sujets:
Research Article
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC1300969/
https://ncbi.nlm.nih.gov/pubmed/10920003
Tags: Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires