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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Detalles Bibliográficos
Autores principales: Jasper, Julia B., Humbeck, Lina, Brinkjost, Tobias, Koch, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5856854/
https://www.ncbi.nlm.nih.gov/pubmed/29549526
http://dx.doi.org/10.1186/s13321-018-0264-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5856854/
https://www.ncbi.nlm.nih.gov/pubmed/29549526
http://dx.doi.org/10.1186/s13321-018-0264-0

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