DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein–Ligand Interaction Prediction

The core of large-scale drug virtual screening is to select the binders accurately and efficiently with high affinity from large libraries of small molecules in which non-binders are usually dominant. The binding affinity is significantly influenced by the protein pocket, ligand spatial information,...

Szczegółowa specyfikacja

Opis bibliograficzny

Główni autorzy:	Haiping Zhang, Konda Mani Saravanan, John Z. H. Zhang
Format:	Artigo
Język:	Inglês
Wydane:	MDPI AG 2023-06-01
Seria:	Molecules
Hasła przedmiotowe:	graph convolution network protein–ligand binding drug virtual screening deep learning DeepBindGCN
Dostęp online:	https://www.mdpi.com/1420-3049/28/12/4691
Etykiety:	Dodaj etykietę Nie ma etykietki, Dołącz pierwszą etykiete!