DENVIS: Scalable and High-Throughput Virtual Screening Using Graph Neural Networks with Atomic and Surface Protein Pocket Features

Agamemnon Krasoulis, Nick Antonopoulos, Vassilis Pitsikalis, Stavros Theodorakis. DENVIS: Scalable and High-Throughput Virtual Screening Using Graph Neural Networks with Atomic and Surface Protein Pocket Features. Journal of Chemical Information and Computer Sciences, 62(19):4642-4659, 2022. [doi]

Abstract

Abstract is missing.