Welcome to the Gohlke Group

Computational Pharmaceutical Chemistry and Molecular Bioinformatics

 

Structural components involved in ethylene signaling in plants and investigated by molecular simulations to gain insights into the underlying molecular mechanisms.


12/23: The PHOENIX Pharmazie Wissenschaftspreis 2023 in Pharmaceutical Chemistry

was awarded for the publication

Bhatia, S.*, Spanier, L., Bickel, D., Dienstbier, N., Woloschin, V., Vogt, M., Pols, H., Lungerich, B., Reiners, J., Aghaallaei, N., Diedrich, D., Frieg, B, Schliehe-Diecks, J., Bopp, B., Lang, F.,  Gopalswamy, M., Loschwitz, J., Bajohgli, B., Skokowa, J., Borkhardt, A., Hauer, J., Hansen, F.K., Smits, S.H.J., Jose, J., Gohlke, H.*, Kurz, T.*
Development of a first-in-class small molecule inhibitor of the C-terminal Hsp90 dimerization. 

ACS Cent. Sci. 2022, 8, 636–655.


04/25: Six grants for computing time on JUWELS and 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.