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Predicting the Folding Pathway of Engrailed Homeodomain with a Probabilistic Roadmap Enhanced Reaction-Path Algorithm()

To predict a protein-folding pathway, we present an alternative to the time-consuming dynamic simulation of atomistic models. We replace the actual dynamic simulation with variational optimization of a reaction path connecting known initial and final protein conformations in such a way as to maximiz...

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Detalhes bibliográficos
Main Authors: Li, Da-wei, Yang, Haijun, Han, Li, Huo, Shuanghong
Formato: Artigo
Idioma:Inglês
Publicado em: The Biophysical Society 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2242771/
https://ncbi.nlm.nih.gov/pubmed/18024496
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.119214
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