M.Sc. Luis Vollmers

Foto von Luis Vollmers

Technische Universität München

Lehrstuhl für Theoretische Biophysik - Molekulardynamik (Prof. Zacharias)


Ernst-Otto-Fischer-Str. 8
85748 Garching b. München

Research Interests

  • I find anything connected to biomolecules and computational physical chemistry particularly captivating.
  • During my bachelor’s thesis I analysed protein dewetting events during folding, while my masters were mainly focused on investigating the applicability of a novel bioassay for drug discovery and safety via machine learning.
  • Even though my skills concentrate on molecular dynamics simulation and drug discovery centered machine learning methods I am also fascinated by QM/MM simulations and docking approaches.
  • My favoured research areas focus on proteins, DNA, RNA and cellular systems and I thoroughly enjoy illuminating molecular mechanisms via MD and intricate analysis.



Authors, Title, Journal


Srijit Seal, Hongbin Yang, Luis Vollmers, and Andreas Bender
Comparison of Cellular Morphological Descriptors and Molecular Fingerprints for the Prediction of Cytotoxicity- and Proliferation-Related Assays
Chem. Res. Toxicol. 2021, 34, 2, 422–437