QM/MM Best Practice Workshop webinar: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding (2020-12-14) GalleryQM/MM Best Practice Workshop webinar: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding (2020-12-14)
QM/MM Best Practice Workshop webinar: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding (2020-12-14)
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"
QM/MM Best Practice Workshop webinar: Studies on enzyme-catalysed reactions (2020-12-10)
Maria João Ramos gives the fourth webinar in the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems.
Webinar: Multiscale QM/MM simulations: exploring chemical reactions using novel GROMACS/CP2K interface (2020-12-08)
Dmitry Morozov introduces the GROMACS/CP2K QM/MM interface developed by BioExcel
QM/MM Best Practice Workshop webinar: Obtaining accurate structures and energies with QM/MM (2020-11-26)
Ulf Ryde gives the 3rd QM/MM Best Practice workshop webinar: Obtaining accurate structures and energies with QM/MM
QM/MM Best Practice Workshop webinar: Validation of DFT functionals in QM/MM simulations of enzymatic reactions initiated by the nucleophilic attack (2020-11-13) GalleryQM/MM Best Practice Workshop webinar: Validation of DFT functionals in QM/MM simulations of enzymatic reactions initiated by the nucleophilic attack (2020-11-13)
QM/MM Best Practice Workshop webinar: Validation of DFT functionals in QM/MM simulations of enzymatic reactions initiated by the nucleophilic attack (2020-11-13)
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
QM/MM Best Practice Workshop: Kick-off webinar (2020-10-30)
Gerrit Groenhof kicks off the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems
