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Structure-based protein–ligand interaction fingerprints for binding affinity prediction

Binding affinity prediction (BAP) using protein–ligand complex structures is crucial to computer-aided drug design, but remains a challenging problem. To achieve efficient and accurate BAP, machine-learning scoring functions (SFs) based on a wide range of descriptors have been developed. Among those...

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Detalles Bibliográficos
Autores principales: Wang, Debby D., Chan, Moon-Tong, Yan, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8637032/
https://www.ncbi.nlm.nih.gov/pubmed/34900139
http://dx.doi.org/10.1016/j.csbj.2021.11.018