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Scoring and lessons learned with the CSAR benchmark using an improved iterative knowledge-based scoring function
Based on a statistical mechanics-based iterative method, we have extracted a set of distance-dependent, all-atom pairwise potentials for protein-ligand interactions from the crystal structures of 1300 protein-ligand complexes. The iterative method circumvents the long-standing reference state proble...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3190652/ https://ncbi.nlm.nih.gov/pubmed/21830787 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci2000727 |
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