HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

Machine-learning methods for ligand–protein molecular docking

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.
Complete list of metadata

Contributor : Luiz Angelo Steffenel Connect in order to contact the contributor
Submitted on : Wednesday, September 22, 2021 - 7:07:45 PM
Last modification on : Friday, April 1, 2022 - 3:53:37 AM




Kevin Crampon, Alexis Giorkallos, Myrtille Deldossi, Stéphanie Baud, Luiz Angelo Steffenel. Machine-learning methods for ligand–protein molecular docking. Drug Discovery Today, Elsevier, 2021, ⟨10.1016/j.drudis.2021.09.007⟩. ⟨hal-03352012⟩



Record views