Welcome to the Gohlke Group

Computational Pharmaceutical Chemistry and Molecular Bioinformatics

 

We illustrate how natural scientists can make use of LLM agents to modernize, optimize, and develop computational (bio)chemistry tools with the AMBER molecular dynamics suite. For further details, please see here.

06/26: The Bundesministerium fuer Forschung, Technologie und Raumfahrt is funding 

the TriNova - KI-gestützte Entwicklung neuartiger TNBC-Therapeutika project.

Read more here.

04/26: Five grants for computing time on JUPITER, Juelich Supercomputing Center, have been approved, for molecular simulations and data science.

The proposal "Structural dynamics of apo, agonist- and antagonist-bound full-length ETR1" has been awarded the John von Neumann Institute for Computing (NIC) Excellence Award 2023/1. Read more here.

Member of / funded by:

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EFRE-Foerderhinwei AUFBRUCHACCeSSVolkswagen Stiftung

Holger Gohlke also heads the Institute of Bio- and Geosciences (IBG-4: Bioinformatics) and headed the John von Neumann Institute (NIC) Research Group
"Computational Biophysical Chemistry" at Forschungszentrum Jülich.
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