Congratulations to Mattia Mason for successfully defending his PhD thesis entitled “Salicylaldehyde-Tagged Peptides for the Reversible-Covalent Engagement of Protein Lysine Residues” and good luck with your future!🍀
Xuexun Lu ; Nils Hertl ; Sara Oregioni ; Riley Preston ; Samuel L. Rudge ; Michael Thoss ; Rocco Martinazzo ; Reinhard J. Maurer J. Chem. Phys. 164, 024707 (2026) “Collisions of atoms and molecules with metal surfaces generate nonadiabatic electronic excitations, driving energy loss, inelastic scattering, and sticking. Mixed quantum-classical dynamics methods, like … Read more
Grazzi, A., Brown, C. M., Sironi, M., Marrink, S. J., & Pieraccini, S. Journal of Chemical Theory and Computation, 2026 – https://doi.org/10.1021/acs.jctc.5c01785 Despite considerable advances in computational chemistry, bridging the gap between the accuracy of all-atom molecular dynamics (AA-MD) and the high-throughput capabilities of docking remains an unsolved problem in protein–ligand binding free energy predictions. … Read more
