Webinar: Introducing HADDOCK3, Enabling modular integrative modelling pipelines (2022-06-07)

By |May 26, 2022|Categories: Webinars|

João M.C. Teixeira introduces the new version 3 of HADDOCK.

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Webinar: Efficient (GROMACS+)CP2K compute resource usage for QM/MM simulation of biomolecular systems (2022-05-24)

By |May 10, 2022|Categories: Webinars|

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)

By |April 20, 2022|Categories: Webinars|

Dmitry Morozov and Mirko Paulikat present QM/MM simulation approaches for fluorescent proteins and proton dynamics in bioanalytical mass spectrometry

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Webinar: BioExcel HPC Workflows: predictive power and its applications in pharmacology (2022-04-26)

By |April 7, 2022|Categories: Webinars|

Three different workflows designed as a collaborative project effort from the CoE partners (NBD, IRB, BSC, KTH, MPG) are briefly presented.

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Webinar: Gromacs/pmx for large scale alchemical protein-ligand binding affinity screening (2022-04-21)

By |April 7, 2022|Categories: Webinars|

Vytas Gapsys talks about the latest developments in PMX focusing on the protein-ligand binding affinity calculations.

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