Student Webinar: Summer School 2021 Edition (2021-09-21)
BioExcel’s webinar series continues with a special edition featuring student speakers
Webinar: Applying the Accelerated Weight Histogram method to alchemical transformations (2021-03-30)
Berk Hess and Magnus Lundborg describe how alchemical free energies can be computed using the Accelerated Weight histogram method
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"
