Prof. Dr. Holger Gohlke



department: Dept. of Pharmacy, Institute of Pharmaceutical and Medical Chemistry


University of Duesseldorf, Department of Pharmacy, Institute of Pharmaceutical and Medical Chemistry, Computational Pharmaceutical Chemistry (CPC) Group

The current research is focussed on the understanding, prediction, and modulation of interactions involving biological macromolecules from a theoretical perspective. We apply and develop techniques grounded in bioinformatics, computational biology, and computational biophysics, such as docking, molecular dynamics simulations, free energy estimations, and methods to characterize the flexibility of protein and RNA structures.

Four main research areas can be distinguished:

  • Investigation of RNA & protein properties by MD Simulation
  • Analysis of protein-protein interfaces and protein binding pockets
  • Development of novel docking approaches
  • Modeling macromolecular flexibility and plasticity

To find out more, visit the website of the Computational Pharmaceutical Chemistry (CPC) Group.

Students (co-)supervised

Prakash Chandra Rathi
Irene Kullartz (alumna)
Stephanie Schumacher (alumna)
Agne Tubeleviciute
Christina Heitzer