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Design of Protein-Ligand Binding Based on the Molecular-Mechanics Energy Model

While the molecular-mechanics field has standardized on a few potential energy functions, computational protein design efforts are based on potentials that are unique to individual labs. Here we show that a standard molecular-mechanics potential energy function without any modifications can be used...

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Detalhes bibliográficos
Main Authors: Boas, F. Edward, Harbury, Pehr B.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2569001/
https://ncbi.nlm.nih.gov/pubmed/18514737
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2008.04.001
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