Webinar: Introducing HADDOCK3, Enabling modular integrative modelling pipelines (2022-06-07)
João M.C. Teixeira introduces the new version 3 of HADDOCK.
[...]
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: Efficient (GROMACS+)CP2K compute resource usage for QM/MM simulation of biomolecular systems (2022-05-24)
Holly Judge and Arno Proeme present an overview of the parallel performance of (GROMACS+)CP2K for QM/MM simulation of biomolecular systems
[...]
Webinar: QM/MM Simulation of Fluorescent Proteins and Proton Dynamics (2022-05-10)
Dmitry Morozov and Mirko Paulikat present QM/MM simulation approaches for fluorescent proteins and proton dynamics in bioanalytical mass spectrometry
[...]