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Biological and Medicinal Chemistry

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structure-based virtual screening

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3 results in Keywords: structure-based virtual screening

Biological and Medicinal Chemistry

SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries

Tuomo Kalliokoski, Ainoleena Turku, Heikki Käsnänen

Version 1 posted 01 October 2024

239

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Biological and Medicinal Chemistry

Assessment of the generalization abilities of machine-learning scoring functions for structure-based virtual screening

Hui Zhu, Jincai Yang, Niu Huang

Version 3 posted 04 August 2022

683

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Theoretical and Computational Chemistry

DockM8: An All-in-One Open-Source Platform for Consensus Virtual Screening in Drug Design

Antoine Lacour, Hamza Ibrahim, Andrea Volkamer, Anna K. H. Hirsch

Version 1 posted 23 July 2024

706

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