Our Team

Team Leader

Dr. Oscar Palomino Hernandez

I am a Team Leader (Habilitation) researcher with a focus on biomolecular simulations and artificial intelligence, particularly in the context of addressing biological problems in drug design and molecular recognition in challenging targets. My background ranges from a B. Sc. in Organic Synthesis (UNAM), a M. Sc. in Cheminformatics (UNAM). and a Ph. D. in Simulation Sciences in a Marie Curie Innovative Training Network (RWTH Aachen, HU Israel and Cyprus Institute).

Research points:

  • Molecular design of therapeutic molecules
  • Conformational changes and allosteric communication
  • AI approaches to molecular simulation
  • Protonation transfer phenomena

PhD Students

Michel Lim

Joint with Prof. Paul Czodrowski
  • Cheminformatic approaches on tautomeric equilibria.
  • Experimental measurement of protonation events (with Prof. Czodrowski).

Master Students

Antonia Rabe

  • Molecular simulation and enhaced sampling of RNA-ligand interactions.

Malte Hellmann

  • Analysis of intrinsically disordered proteins with small molecules.

Alumni

  • Lisa Johannknecht, April 2024
  • Maksim Käis, October 2023