Learning from the ligand: using ligand-based features to improve binding affinity prediction

Machine learning scoring functions for protein-ligand binding affinity prediction have been found to consistently outperform classical scoring functions. Structure-based scoring functions for universal affinity prediction typically use features describing interactions derived from the protein-ligand...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron: Boyles, F, Deane, C, Morris, G
Fformat: Journal article
Cyhoeddwyd: 2019