Our research

We have been developing and applying quantum and classical multiscale molecular modeling methods, as well as methods of bioinformatics and biomedical informatics. In particular, we have been dealing with:

  • static and dynamical modeling of complex biomolecular systems,
  • drug design.

Recent publications

  1. Ishikawa T, Krzyśko KA, Kowalska-Loth B, Skrajna AM, Czubaty A, Girstun A, et al. Activities of Topoisomerase I in Its Complex with SRSF1. Biochemistry. 2012.
  2. Ahmed A, Goldsmith J, Fokt I, Le X-, Krzyśko KA, Lesyng B, et al. A genistein derivative, ITB-301, induces microtubule depolymerization and mitotic arrest in multidrug-resistant ovarian cancer. Cancer Chemother Pharmacol. 2011;68(4):1033-44.
  3. Daniluk P, Lesyng B. A novel method to compare protein structures using local descriptors. BMC Bioinformatics. 2011;12:344.