Welcome to the Gohlke Group

Computational Pharmaceutical Chemistry and Molecular Bioinformatics


01/23: We presented the most comprehensive set of potential of mean force (PMF) profiles of pairwise protein–residue interactions to date, covering 50 relevant interactions in water, the two biotechnologically relevant aIL [BMIM/Cl] and [BMIM/TfO], and [Na/Cl]. This data provide explanations at the atomistic and energetic levels for complex IL effects on protein stability. Read more here.

08/22: We provided a glimpse into the world of proteins at the Tag der Neugier at Forschungszentrum Jülich. See our video here.

04/23: Grants for computing time on JUWELS, Juelich Supercomputing Center, have been approved.

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:

BioSC_logo.gif igrad_2.png  GRK2158_Logo.pngCodeChi

EFRE-Foerderhinwei Sfb_logo.pngGRK2158_dynion.pngVolkswagen 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.