BioExcel webinar series for computational biomolecular research cover broad range of topics related to the latest development of supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.
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 [...]