Publications

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Journal Article
S. A. Samsonov, Freza, S., and Zsila, F., In silico analysis of heparin and chondroitin sulfate binding mechanisms of the antiprotozoal drug berenil and pentamidine, Carbohydrate Research, vol. 482, p. 107742, 2019.
U. Uciechowska-Kaczmarzyk, Babik, S., Zsila, F., Bojarski, K. Kamil, Beke-Somfai, T., and Samsonov, S. A., Molecular dynamics-based model of VEGF-A and its heparin interactions, Journal of Molecular Graphics and Modelling, vol. 82, pp. 157–166, 2018.
F. Zsila and Samsonov, S. A., Molecular interactions of the anticancer agent ellipticine with glycosaminoglycans by in silico analysis, Carbohydrate research, vol. 462, pp. 28–33, 2018.
G. Kohut, Sieradzan, A., Zsila, F., Juhász, T., Bosze, S., Liwo, A., Samsonov, S. A., and Beke-Somfai, T., The molecular mechanism of structural changes in the antimicrobial peptide CM15 upon complex formation with drug molecule suramin: a computational analysis, Physical Chemistry Chemical Physics, vol. 21, pp. 10644–10659, 2019.
G. Kohut, Liwo, A., Bősze, S., Beke-Somfai, T., and Samsonov, S. A., Protein-Ligand Interaction Energy-Based Entropy Calculations: Fundamental Challenges for Flexible Systems, The Journal of Physical Chemistry B, 2018.