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Towards Effective Consensus Scoring in Structure-Based Virtual Screening

Virtual screening (VS) is a computational strategy that uses in silico automated protein docking inter alia to rank potential ligands, or by extension rank protein–ligand pairs, identifying potential drug candidates. Most docking methods use preferred sets of physicochemical descriptors (PCDs) to mo...

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Detalles Bibliográficos
Autores principales:	Nhat Phuong, Do, Flower, Darren R., Chattopadhyay, Subhagata, Chattopadhyay, Amit K.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer Nature Singapore 2022
Materias:	Original Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9941253/ https://www.ncbi.nlm.nih.gov/pubmed/36550341 http://dx.doi.org/10.1007/s12539-022-00546-8

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