Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term

Scoring functions are important components in molecular docking for structure-based drug discovery. Traditional scoring functions, generally empirical- or force field-based, are robust and have proven to be useful for identifying hits and lead optimizations. Although multiple highly accurate deep le...

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Detalles Bibliográficos
Autores principales: Zheng, Liangzhen, Meng, Jintao, Jiang, Kai, Lan, Haidong, Wang, Zechen, Lin, Mingzhi, Li, Weifeng, Guo, Hongwei, Wei, Yanjie, Mu, Yuguang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Problem Solving Protocol
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9116214/
https://www.ncbi.nlm.nih.gov/pubmed/35289359
http://dx.doi.org/10.1093/bib/bbac051

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9116214/
https://www.ncbi.nlm.nih.gov/pubmed/35289359
http://dx.doi.org/10.1093/bib/bbac051

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