Full Terms & Conditions of access and use can be found at https://www.tandfonline.com/action/journalInformation?journalCode=tmph20 Molecular Physics An International Journal at the Interface Between Chemistry and Physics ISSN: 0026-8976 (Print) 1362-3028 (Online) Journal homepage: https://www.tandfonline.com/loi/tmph20 Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation Hythem Sidky, Wei Chen & Andrew L. Ferguson To cite this article: Hythem Sidky, Wei Chen & Andrew L. Ferguson (2020) Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation, Molecular Physics, 118:5, e1737742, DOI: 10.1080/00268976.2020.1737742 To link to this article: https://doi.org/10.1080/00268976.2020.1737742 Published online: 10 Mar 2020. Submit your article to this journal Article views: 738 View related articles View Crossmark data Citing articles: 1 View citing articles