Webinar: NB-LIB: A performance portable library for computing forces and energies of multi-particle systems (2021-03-11)
Joe Jordan and Sebastian Keller introduce the GROMACS-associated NB-LIB library for computation of multi-particle forces and energies
QM/MM Best Practice Workshop: Panel Session (2021-01-29)
A panel session concludes the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems
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: Modeling catalytic mechanisms in carbohydrate-active enzymes with QM/MM MD methods (2021-01-12)
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)
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
