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BEDAM Binding Free Energy Predictions for the SAMPL4 Octa-Acid Host Challenge

The Binding Energy Distribution Analysis Method (BEDAM) protocol has been employed as part of the SAMPL4 blind challenge to predict the binding free energies of a set of octa-acid host-guest complexes. The resulting predictions were consistently judged as some of the most accurate predictions in thi...

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Detalhes bibliográficos
Publicado no:J Comput Aided Mol Des
Main Authors: Gallicchio, Emilio, Chen, Haoyuan, Chen, He, Fitzgerald, Michael, Gao, Yang, He, Peng, Kalyanikar, Malathi, Kao, Chuan, Lu, Beidi, Niu, Yijie, Pethe, Manasi, Zhu, Jie, Levy, Ronald M.
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4832917/
https://ncbi.nlm.nih.gov/pubmed/25726024
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9795-2
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