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

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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]

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