AUTHOR=Decherchi Sergio , Grisoni Francesca , Tiwary Pratyush , Cavalli Andrea TITLE=Editorial: Molecular Dynamics and Machine Learning in Drug Discovery JOURNAL=Frontiers in Molecular Biosciences VOLUME=8 YEAR=2021 URL=https://www.frontiersin.org/journals/molecular-biosciences/articles/10.3389/fmolb.2021.673773 DOI=10.3389/fmolb.2021.673773 ISSN=2296-889X