Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes. - Mirko Paulikat; Daniele Vitone; Florian Karl Schackert; Nils Schuth; Alessandra Barbanente; GiovanniMaria Piccini; Emiliano Ippoliti; Giulia Rossetti; Adam H. Clark; Maarten Nachtegaal; Michael Haumann; Holger Dau; et al. (J. Chem. Inf. Model., 2023)

Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. - Florian Karl Schackert; Johann Biedermann; Saeid Abdolvand; Sonja Minniberger; Chen Song; Andrew J. R. Plested; Paolo Carloni; Han Sun (J. Chem. Inf. Model., 2023)

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. - Bharath Raghavan; Florian K. Schackert; Andrea Levy; Sophia K. Johnson; Emiliano Ippoliti; Davide Mandelli; Jógvan Magnus Haugaard Olsen; Ursula Rothlisberger; Paolo Carloni (J. Chem. Inf. Model., 2023)