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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Autori principali: 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
Natura: Artigo
Lingua:Inglês
Pubblicazione: Biophysical Society 2007
Soggetti:
Biophysical Theory and Modeling
Accesso online: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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