A beginner’s approach to deep learning applied to VS and MD techniques

Abstract It has become impossible to imagine the fields of biochemistry and medicinal chemistry without computational chemistry and molecular modelling techniques. In many steps of the drug development process in silico methods have become indispensable. Virtual screening (VS) can tremendously exped...

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Bibliographic Details
Main Authors: Stijn D’Hondt, José Oramas, Hans De Winter
Format: Article
Language:English
Published: BMC 2025-04-01
Series:Journal of Cheminformatics
Online Access:https://doi.org/10.1186/s13321-025-00985-7
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