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DENVIS: Scalable and High-Throughput Virtual Screening Using Graph Neural Networks with Atomic and Surface Protein Pocket Features.
Krasoulis, Agamemnon; Antonopoulos, Nick; Pitsikalis, Vassilis; Theodorakis, Stavros.
Affiliation
  • Krasoulis A; DeepLab, Leoforos Syngrou 106, Athens117 41, Greece.
  • Antonopoulos N; DeepLab, Leoforos Syngrou 106, Athens117 41, Greece.
  • Pitsikalis V; DeepLab, Leoforos Syngrou 106, Athens117 41, Greece.
  • Theodorakis S; DeepLab, Leoforos Syngrou 106, Athens117 41, Greece.
J Chem Inf Model ; 62(19): 4642-4659, 2022 10 10.
Article in En | MEDLINE | ID: mdl-36154119
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Neural Networks, Computer / Membrane Proteins Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2022 Type: Article Affiliation country: Greece
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Neural Networks, Computer / Membrane Proteins Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2022 Type: Article Affiliation country: Greece