Computational Biochemistry Group


In the Computational Biochemistry Group, headed by Prof. Dr. Birgit Strodel, we work on the development of biomolecular simulation methods and their application to various problems from the fields of biophysics and biochemistry. In particular, techniques involving molecular dynamics (MD) simulations and molecular docking are used. The simulations are often evaluated using transition networks and Markov state models. Thematically, we focus on protein aggregation causing diseases, intrinsically disordered proteins (IDPs), protein-lipid interactions, protein-protein interactions, enzyme design, and drug development.

Research Topics

  • Amyloid aggregation
  • Energy landscapes of IDPs and peptide aggregation
  • Protein-membrane interactions as part of infection biology
  • Enzyme design: from machine learning to MD simulations and experiments
  • Computer-aided drug design
  • Force field verification


Prof. Dr. Birgit Strodel


Building 05.8v / Room 3024

+49 2461/61-3670



Dr. Batuhan Kav

Dr. Hebah Fatafta

Dr. Maryam Olagunju

Ph.D. Students

Anna Jäckering

Mohammed Khaled

Jennifer Loschwitz

Lara Scharbert

Moritz Schäffler

Wibke Schumann

M.Sc. Students:

Bastian Aggeler

Bidisha Sarkar

Tilman Hoffbauer

B.Sc. Students:

Vera Grimmelt

Alexander Kaschkowski

Georg Pöppich

Selected Publications

Last Modified: 24.02.2023