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...

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Detaylı Bibliyografya
Asıl Yazarlar: Rojnuckarin, A, Livesay, D R, Subramaniam, S
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2000
Konular:
Research Article
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC1300969/
https://ncbi.nlm.nih.gov/pubmed/10920003
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