Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling

The OPLS-AA all-atom force field and the Analytical Generalized Born plus Non-Polar (AGBNP) implicit solvent model, in conjunction with torsion angle conformational search protocols based on the Protein Local Optimization Program (PLOP), are shown to be effective in predicting the native conformatio...

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Detalhes bibliográficos
Main Authors: Felts, Anthony K., Gallicchio, Emilio, Chekmarev, Dmitriy, Paris, Kristina A., Friesner, Richard A., Levy, Ronald M.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2533438/
https://ncbi.nlm.nih.gov/pubmed/18787648
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct800051k
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