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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Bibliografiska uppgifter
Huvudupphovsmän: 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
Materialtyp: Artigo
Språk:Inglês
Publicerad: Biophysical Society 2007
Ämnen:
Biophysical Theory and Modeling
Länkar: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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