Finite Element Analysis of the Time-Dependent Smoluchowski Equation for Acetylcholinesterase Reaction Rate Calculations

This article describes the numerical solution of the time-dependent Smoluchowski equation to study diffusion in biomolecular systems. Specifically, finite element methods have been developed to calculate ligand binding rate constants for large biomolecules. The resulting software has been validated...

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Detalhes bibliográficos
Main Authors: Cheng, Yuhui, Suen, Jason K., Zhang, Deqiang, Bond, Stephen D., Zhang, Yongjie, Song, Yuhua, Baker, Nathan A., Bajaj, Chandrajit L., Holst, Michael J., McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2007
Assuntos:
Biophysical Theory and Modeling
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1853150/
https://ncbi.nlm.nih.gov/pubmed/17307827
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.102533
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