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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Hlavní autoři: 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
Médium: Artigo
Jazyk:Inglês
Vydáno: Biophysical Society 2007
Témata:
Biophysical Theory and Modeling
On-line přístup: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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