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Browndye: A Software Package for Brownian Dynamics

A new software package, Browndye, is presented for simulating the diffusional encounter of two large biological molecules. It can be used to estimate second-order rate constants and encounter probabilities, and to explore reaction trajectories. Browndye builds upon previous knowledge and algorithms...

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Sparad:
Bibliografiska uppgifter
Huvudupphovsmän: Huber, Gary A., McCammon, J. Andrew
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2010
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC2994412/
https://ncbi.nlm.nih.gov/pubmed/21132109
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2010.07.022
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