Molecular mechanism for bidirectional regulation of CD44 for lipid raft affiliation by palmitoylations and PIP2. - Fude Sun; Carsten F. E. Schroer; Carlos Ramírez-Palacios; Lida Xu; Shi-Zhong Luo; Siewert J. Marrink (PLoS Comput. Biol., 2020)

Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations. - Carlos Ramírez-Palacios; Hein J. Wijma; Sebastian Thallmair; Siewert J. Marrink; Dick B. Janssen (J. Chem. Inf. Model., 2021)