An artificial intelligence accelerated virtual screening platform for drug discovery

An artificial intelligence accelerated virtual screening platform for drug discovery

Abstract Structure-based virtual screening is a key tool in early drug discovery, with growing interest in the screening of multi-billion chemical compound libraries. However, the success of virtual screening crucially depends on the accuracy of the binding pose and binding affinity predicted by com...

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Bibliographic Details
Main Authors: Guangfeng Zhou, Domnita-Valeria Rusnac, Hahnbeom Park, Daniele Canzani, Hai Minh Nguyen, Lance Stewart, Matthew F. Bush, Phuong Tran Nguyen, Heike Wulff, Vladimir Yarov-Yarovoy, Ning Zheng, Frank DiMaio
Format: Article
Language:English
Published: Nature Portfolio 2024-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-024-52061-7

Internet

https://doi.org/10.1038/s41467-024-52061-7

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