Virtual Screening with <span style="font-variant: small-caps">Gnina</span> 1.0

Virtual screening—predicting which compounds within a specified compound library bind to a target molecule, typically a protein—is a fundamental task in the field of drug discovery. Doing virtual screening well provides tangible practical benefits, including reduced drug development costs, faster ti...

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Bibliographic Details

Published in:	Molecules
Main Authors:	Jocelyn Sunseri, David Ryan Koes
Format:	Article
Language:	English
Published:	MDPI AG 2021-12-01
Subjects:	virtual screening structure-based drug design molecular docking deep learning
Online Access:	https://www.mdpi.com/1420-3049/26/23/7369