Webinar: Introducing HADDOCK3, Enabling modular integrative modelling pipelines (2022-06-07)
João M.C. Teixeira introduces the new version 3 of HADDOCK.
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Main Post
Webinar: Efficient (GROMACS+)CP2K compute resource usage for QM/MM simulation of biomolecular systems (2022-05-24)
Holly Judge and Arno Proeme present an overview of the parallel performance of (GROMACS+)CP2K for QM/MM simulation of biomolecular systems
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Webinar: QM/MM Simulation of Fluorescent Proteins and Proton Dynamics (2022-05-10)
Dmitry Morozov and Mirko Paulikat present QM/MM simulation approaches for fluorescent proteins and proton dynamics in bioanalytical mass spectrometry
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