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,...

Disgrifiad llawn

Manylion Llyfryddiaeth

Prif Awduron:	Haiping Zhang, Konda Mani Saravanan, John Z. H. Zhang
Fformat:	Artigo
Iaith:	Inglês
Cyhoeddwyd:	MDPI AG 2023-06-01
Cyfres:	Molecules
Pynciau:	graph convolution network protein–ligand binding drug virtual screening deep learning DeepBindGCN
Mynediad Ar-lein:	https://www.mdpi.com/1420-3049/28/12/4691
Tagiau:	Ychwanegu Tag Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!