Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin
Crossref DOI link: https://doi.org/10.1073/pnas.1519712113
Published Online: 2016-01-19
Published Print: 2016-02-02
Update policy: https://doi.org/10.1073/pnas.cm10313
Shaffer, Patrick
Valsson, Omar
Parrinello, Michele
Publication History
Published: 2016-01-19
