| Literature DB >> 34560276 |
Kevin Crampon1, Alexis Giorkallos2, Myrtille Deldossi2, Stéphanie Baud3, Luiz Angelo Steffenel4.
Abstract
Artificial intelligence (AI) is often presented as a new Industrial Revolution. Many domains use AI, including molecular simulation for drug discovery. In this review, we provide an overview of ligand-protein molecular docking and how machine learning (ML), especially deep learning (DL), a subset of ML, is transforming the field by tackling the associated challenges.Entities:
Keywords: Data representation; Deep learning; Machine learning; Molecular docking; Sampling; Scoring
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Year: 2021 PMID： 34560276 DOI： 10.1016/j.drudis.2021.09.007
Source DB: PubMed Journal: Drug Discov Today ISSN： 1359-6446 Impact factor: 7.851