Webinars – 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: What’s new in GROMACS 2021 (2021-02-18)

January 22, 2021January 22, 2021Arno Proeme Comment

Paul Bauer and Berk Hess give an overview of the new features in GROMACS 2021 and upcoming developments [...]

QM/MM Best Practice Workshop webinar: Modeling catalytic mechanisms in carbohydrate-active enzymes with QM/MM MD methods (2021-01-12)

January 5, 2021January 20, 2021Arno Proeme

Carme Rovira presents the 7th QM/MM Best Practice workshop webinar: “Modeling catalytic mechanisms in carbohydrate-active enzymes with QM/MM MD methods” [...]

QM/MM Best Practice Workshop webinar: Multiscale Simulation of Monoaminergic System: Applications to Neurodegeneration (2021-01-08)

January 4, 2021January 12, 2021Arno Proeme

Janez Mavri presents the 6th QM/MM Best Practice workshop webinar, “Multiscale Simulation of Monoaminergic System: Applications to Neurodegeneration” [...]