An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package

Shitanshu Bajpai, Brian K. Petkov, Muchen Tong, Charlles R.A. Abreu, Nisanth N. Nair, Mark E. Tuckerman

Research output: Contribution to journalArticlepeer-review

Fingerprint

Dive into the research topics of 'An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package'. Together they form a unique fingerprint.

Mathematics

Chemical Compounds