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Compact representation of continuous energy surfaces for more efficient protein design

In macromolecular design, conformational energies are sensitive to small changes in atom coordinates, so modeling the small, continuous motions of atoms around low-energy wells confers a substantial advantage in structural accuracy; however, modeling these motions comes at the cost of a very large n...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Hallen, Mark A., Gainza, Pablo, Donald, Bruce R.
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4469035/
https://ncbi.nlm.nih.gov/pubmed/26089744
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct501031m
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