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.
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Webinars
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.
Webinar: Improvements in the GROMACS heterogeneous parallelization (2022-04-05)
Szilard talks about the advances and improvements which enable the performance, flexibility and portability of GROMACS.
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Webinar: What’s new in GROMACS 2022 (2022-03-08)
Paul will give an overview of the new features included in the new release of GROMACS 2022.
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