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.


10/22: Grants for computing time on JUWELS, Juelich Supercomputing Center, have been approved.