BioExcel Summer School on Biomolecular Simulations
04 Jun, 2021 - 11 Jun, 2021 @ 10:00 - 18:00 -
Online
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Webinar: What’s new in GROMACS 2021 (2021-02-18)
Paul Bauer and Berk Hess give an overview of the new features in GROMACS 2021 and upcoming developments
QM/MM Best Practice Workshop webinar: Multiscale Simulation of Monoaminergic System: Applications to Neurodegeneration (2021-01-08)
Janez Mavri presents the 6th QM/MM Best Practice workshop webinar, "Multiscale Simulation of Monoaminergic System: Applications to Neurodegeneration"
Student Webinar: Winter School 2020 Edition (2021-01-18)
BioExcel’s webinar series continues with a special edition featuring student speakers
BioExcel/ENCCS workshop – Advanced topics in simulations with GROMACS
12 Jan, 2021 - 15 Jan, 2021 @ 09:00 - 12:30 -
Online
QM/MM Best Practice Workshop webinar: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding (2020-12-14) GalleryQM/MM Best Practice Workshop webinar: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding (2020-12-14)
QM/MM Best Practice Workshop webinar: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding (2020-12-14)
Adrian Mulholland presents the 5th QM/MM Best Practice workshop webinar, "Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms and protein-ligand binding"
QM/MM Best Practice Workshop webinar: Studies on enzyme-catalysed reactions (2020-12-10)
Maria João Ramos gives the fourth webinar in the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems.
HiPEAC conference 2021 workshop
20 Jan, 2021 @ 11:00 - 14:00 -
Online
Webinar: Multiscale QM/MM simulations: exploring chemical reactions using novel GROMACS/CP2K interface (2020-12-08)
Dmitry Morozov introduces the GROMACS/CP2K QM/MM interface developed by BioExcel
2020 European HPC Handbook released
The 2020 European HPC Handbook has been published by ETP4HPC [...]
