Webinars – Page 2 – BioExcel – Centre of Excellence for Computation Biomolecular Research

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: BioExcel HPC Workflows: predictive power and its applications in pharmacology (2022-04-26)

April 7, 2022May 3, 2022spyro

Three different workflows designed as a collaborative project effort from the CoE partners (NBD, IRB, BSC, KTH, MPG) are briefly presented. [...]

Webinar: Gromacs/pmx for large scale alchemical protein-ligand binding affinity screening (2022-04-21)

April 7, 2022May 3, 2022spyro

Vytas Gapsys talks about the latest developments in PMX focusing on the protein-ligand binding affinity calculations. [...]

Webinar: Improvements in the GROMACS heterogeneous parallelization (2022-04-05)

March 8, 2022April 6, 2022spyro

Szilard talks about the advances and improvements which enable the performance, flexibility and portability of GROMACS. [...]