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Frontiers in Molecular Biosciences
(Apr 2021)
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
Sergio Decherchi,
Sergio Decherchi,
Francesca Grisoni,
Pratyush Tiwary,
Andrea Cavalli,
Andrea Cavalli
Affiliations
Sergio Decherchi
Fondazione Istituto Italiano di Tecnologia, Genoa, Italy
Sergio Decherchi
BiKi Technologies s.r.l., Genoa, Italy
Francesca Grisoni
Department of Biomedical Engineering, Eindhoven University of Technology, Eindhoven, Netherlands
Pratyush Tiwary
Department of Chemistry and Biochemistry, Institute for Physical Science and Technology, University of Maryland, College Park, MD, United States
Andrea Cavalli
Fondazione Istituto Italiano di Tecnologia, Genoa, Italy
Andrea Cavalli
Department of Pharmacy and Biotechnology (FaBiT), Alma Mater Studiorum – University of Bologna, Bologna, Italy
DOI
https://doi.org/10.3389/fmolb.2021.673773
Journal volume & issue
Vol. 8
Abstract
Read online
No abstracts available.
Keywords
machine learning
molecular dynamics
computational chemistry (molecular design)
drug discovery
physics-based models
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