[ASAP] pyCHARMM: Embedding CHARMM Functionality in a Python Framework

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.3c00364

Source: Journal of Chemical Theory and Computation - June 2, 2023 Category: Chemistry Authors: Joshua Buckner, Xiaorong Liu, Arghya Chakravorty, Yujin Wu, Luis F. Cervantes, Thanh T. Lai, and Charles L. Brooks III Source Type: research