QM/MM Best Practice Workshop webinar: Studies on enzyme-catalysed reactions (2020-12-10)

By |November 24, 2020|Categories: Webinars|

Maria João Ramos gives the fourth webinar in the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems.

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Webinar: Multiscale QM/MM simulations: exploring chemical reactions using novel GROMACS/CP2K interface (2020-12-08)

By |November 15, 2020|Categories: Webinars|

Dmitry Morozov introduces the GROMACS/CP2K QM/MM interface developed by BioExcel

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QM/MM Best Practice Workshop webinar: Obtaining accurate structures and energies with QM/MM (2020-11-26)

By |November 12, 2020|Categories: Webinars|

Ulf Ryde gives the 3rd QM/MM Best Practice workshop webinar: Obtaining accurate structures and energies with QM/MM

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QM/MM Best Practice Workshop webinar: Validation of DFT functionals in QM/MM simulations of enzymatic reactions initiated by the nucleophilic attack (2020-11-13)

By |November 8, 2020|Categories: Webinars|

Maria Khrenova gives the 2nd QM/MM Best Practice Workshop webinar: Validation of DFT functionals in QM/MM simulations of enzymatic reactions initiated by the nucleophilic attack

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Webinar: Using competencies to guide training and professional development (2020-11-05)

By |October 14, 2020|Categories: Webinars|

Find out how the competency mapper developed by BioExcel can help you map out your professional development

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