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AWSEM-MD: Protein Structure Prediction Using Coarse-grained Physical Potentials and Bioinformatically Based Local Structure Biasing

The Associative memory, Water mediated, Structure and Energy Model (AWSEM) is a coarse-grained protein force field. AWSEM contains physically motivated terms, such as hydrogen bonding, as well as a bioinformatically based local structure biasing term, which efficiently takes into account many-body e...

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Detalhes bibliográficos
Main Authors: Davtyan, Aram, Schafer, Nicholas P., Zheng, Weihua, Clementi, Cecilia, Wolynes, Peter G., Papoian, Garegin A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3406225/
https://ncbi.nlm.nih.gov/pubmed/22545654
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp212541y
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