König, Gerhard Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society; Laboratory of Physical Chemistry, ETH Zürich;
König, G., & Riniker, S. (2020). On the faithfulness of molecular mechanics representations of proteins towards quantum-mechanical energy surfaces. Interface Focus, 10(6): 20190121. doi:10.1098/rsfs.2019.0121.