Adrian Mulholland presents the 5th QM/MM Best Practice workshop webinar, “Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding” [...]

Maria João Ramos gives the fourth webinar in the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems. [...]

Dmitry Morozov introduces the GROMACS/CP2K QM/MM interface developed by BioExcel [...]

Ulf Ryde gives the 3rd QM/MM Best Practice workshop webinar: Obtaining accurate structures and energies with QM/MM [...]

Maria Khrenova gives the 2nd QM/MM Best Practice Workshop webinar: Validation of DFT functionals in QM/MM simulations of enzymatic reactions initiated by the nucleophilic attack [...]