
Webinar: Gromacs/pmx for large scale alchemical protein-ligand binding affinity screening (2022-04-21)
Vytas Gapsys talks about the latest developments in PMX focusing on the protein-ligand binding affinity calculations.
[...]
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.