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.
04/24: Five grants for computing time on JUWELS, Juelich Supercomputing Center, have been approved, all for molecular simulations.
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.