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
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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: 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
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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
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