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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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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| 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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