Carme Rovira presents the 7th QM/MM Best Practice workshop webinar: "Modeling catalytic mechanisms in carbohydrate-active enzymes with QM/MM MD methods"
Janez Mavri presents the 6th QM/MM Best Practice workshop webinar, "Multiscale Simulation of Monoaminergic System: Applications to Neurodegeneration"
BioExcel’s webinar series continues with a special edition featuring student speakers
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
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FUNDING
BioExcel is funded by the European Union Horizon 2020 program under grant agreements 823830, 675728 and by the EuroHPC Joint Undertaking and Sweden, Netherlands, Germany, Spain, Finland and Norway under grant agreement 101093290
