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

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: Debby D. Wang, Moon-Tong Chan, Hong Yan
Formato: article
Lenguaje:EN
Publicado: Elsevier 2021
Materias:
Interaction fingerprint
Protein–ligand binding affinity
Scoring function
Machine learning
Computer-aided drug design
Biotechnology
TP248.13-248.65
Acceso en línea:https://doaj.org/article/0eb163c916dc4917b73286811f8c9bd6
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https://doaj.org/article/0eb163c916dc4917b73286811f8c9bd6

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