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A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening
Protein ligand interaction fingerprints are a powerful approach for the analysis and assessment of docking poses to improve docking performance in virtual screening. In this study, a novel interaction fingerprint approach (PADIF, protein per atom score contributions derived interaction fingerprint)...
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Publicado no: | J Cheminform |
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Main Authors: | , , , |
Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
Springer International Publishing
2018
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Assuntos: | |
Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5856854/ https://ncbi.nlm.nih.gov/pubmed/29549526 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0264-0 |
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