Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins. - Zongfan Yang; Rebecca M. Twidale; Silvia Gervasoni; Reynier Suardíaz; Charlotte K. Colenso; Eric J. M. Lang; James Spencer; Adrian J. Mulholland (J. Chem. Inf. Model., 2021)

Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment. - Emily Lythell; Jack Badley; Reynier Suardíaz; Catherine R. Gurr; Catherine L. Tooke; Philip Hinchliffe; A. Sofia F. Oliveira; Marc van der Kamp; James Spencer; Adrian J. Mulholland (J. Chem. Inf. Model., 2025)