[ASAP] MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations

Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.2c01620

Source: Journal of Chemical Information and Modeling - February 22, 2023 Category: Chemistry Authors: Bharath Raghavan, Florian K. Schackert, Andrea Levy, Sophia K. Johnson, Emiliano Ippoliti, Davide Mandelli, Jo ́gvan Magnus Haugaard Olsen, Ursula Rothlisberger, and Paolo Carloni Source Type: research