Kollar, J., Frecer, V. How Accurate is description of ligand - protein interactions by hybrid QM/MM approach? Journal of Molecular Modeling 2018, 24(1), 11.


Esmel, A., Keita, M., Megnassan, E., Toi, B., Frecer, V., Miertuš, S. Insight into binding mode of nitrile inhibitors of Plasmodium falciparum Falcipain-3, QSAR and pharmacophore models, virtual design of new analogs with favorable pharmacokinetic profiles. Journal of Computational Chemistry and Molecular Modeling 2017, 2(1), 1-22.

Hajzer, V., Fišera, R., Latika, A., Durmis, J., Kollár, J., Frecer, V., Tučeková, Z., Miertuš, S., Kostolanský, F., Varečková, E., Šebesta, R.: Stereoisomers of oseltamivir - synthesis, in silico prediction and biological evaluation. Org. Biomol. Chem. 15(8), 1828-1841 (2017).

Jablonský, M., Nosálová, J., Sládková, A., Ház, A., Kreps, F., Valka, J., Miertuš, S., Frecer, V., Ondrejovič, M., Šima, J., Šurina, I. Valorisation of softwood bark through extraction of utilizable chemicals. A review. Biotechnology Advances 2017, 35(6), 726-750.

Kreps, F., Burčová, Z., Jablonský, M., Ház, A., Frecer, V., Kyselka, J., Schmidt, Š., Šurina, I., Filip, V. Bioresource of antioxidant and potential medicinal compounds from waste biomass of spruce. ACS Sustainable Chemistry and Engineering 2017, 5(9), 8161-8170.

N'Guessan, A., Megnassan, E., Ziao, N., Frecer, V., N'Guessan, Y. T., Miertuš, S. Artemisinin - dipeptidyl vinyl sulfone hybrid inhibitors of Plasmodium falciparum Falcipain 2 with favorable pharmacokinetic profiles. Journal of Drug Design and Development 2017, 1(1), 11-28.


Svetlik, J., Pronayova, N., Frecer, V., Ciez, D.: Three-component reaction and organocatalysis in one: synthesis of densely substituted 4-aminochromanes. Tetrahedron 72(47), 7620-7627 (2016).


Kollar J., Frecer, V.: Selective inhibitors of zinc-dependent histone deacetylases. Therapeutic targets relevant to cancer. Curr. Pharm. Des. 21(11), 1472-1502 (2015).

Kouassi AF, Kone M, Keita M, Esmel A, Megnassan E, N'Guessan YT, Frecer V, Miertuš S.: Computer-aided design of orally bioavailable pyrrolidine carboxamide inhibitors of enoyl-acyl carrier protein reductase of Mycobacterium tuberculosis with favorable pharmacokinetic profiles. Int. J. Mol. Sci. 16(12), 29744-29771 (2015).


Berti F., Frecer V., Miertuš S.: Inhibitors of HIV-protease from computational design. A history of theory and synthesis still to be fully appreciated. Curr. Pharm. Des. 20(21), 3398-3411 (2014).

Bonini C, Chiummiento L, Di Blasio N, Funicello M, Lupattelli P, Tramutola F, Berti F, Ostric A, Miertuš S, Frecer V, Kong DX.: Synthesis and biological evaluation of new simple indolic non peptidic HIV Protease inhibitors: the effect of different substitution patterns. Bioorg. Med. Chem. 22(17), 4792-802 (2014).

Udommaneethanakit T, Rungrotmongkol T, Frecer V, Seneci P, Miertus S, Bren U.: Drugs against avian influenza a virus: design of novel sulfonate inhibitors of neuraminidase N1. Curr. Pharm. Des. 20(21), 3478-87 (2014).

Vittekova M., Dragunova J., Kabat P., Bozikova M., Bakos D., Koller J.: Cytotoxicity testing of scaffolds potentially suitable for the preparation of three-dimensional skin substitutes, Cell Tissue Bank. 15(3), 345-55 (2014).


Owono Owono LC, Keita M, Megnassan E, Frecer V, Miertus S.: Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis. Tuberc. Res. Treat. 2013(e670836), (2013).

Toti, K. S., Verbeke, F., Risseeuw, M. D. P., Frecer, V., Munier-Lehmann, H., Van Calenbergh, S.: Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as M. tuberculosis thymidylate kinase inhibitors. Bioorgan. Med. Chem. 21(1), 257-268 (2013).


Dali, B., Keita, M., Megnassan, E., Frecer, V., Miertuš, S.: Insight into selectivity of peptidomimetic inhibitors with modified statine core for plasmepsin II of Plasmodium falciparum over human cathepsin D. Chem. Biol. Drug Des. 79(4), 411-430 (2012).

Kongkamnerd J, Cappelletti L, Prandi A, Seneci P, Rungrotmongkol T, Jongaroonngamsang N, Rojsitthisak P, Frecer V, Milani A, Cattoli G, Terregino C, Capua I, Beneduce L, Gallotta A, Pengo P, Fassina G, Miertus S, De-Eknamkul W.: Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus. Bioorg. Med. Chem. 20(6), 2152-7 (2012).

Megnassan E, Keita M, Bieri C, Esmel A, Frecer V, Miertus S.: Design of novel dihydroxynaphthoic acid inhibitors of Plasmodium falciparum lactate dehydrogenase. Med. Chem. 8(5), 970-84 (2012).


Harvanová D., Rosocha J., Bakoš D., Švihla R., Vaško G., Horňák S., Ledecký V., Gromošová S., Cibur P., Raši R., Collagen/hyaluronan membrane as a scaffold for chondrocytes cultivation, Biologia 64(5), 1032-1038 (2009).


Palou, M., Bakoš, D., Kuzielová, E., Labuda, J.: Potential Application of Glass and Glass-Ceramics Based on Lithium Disilicate as Biomaterials, Key Engineering Materials, 361-363, 273-276 (2008).

Šimon P., Chaudhry Q., Bakoš D.: Migration of engineered nanoparticles from polymer packaging to food - a physicochemical view, J. Food Nutr. Res. 47(3), 105-113 (2008).

Šimon, P., Zhong, W., Bakoš, D., Hynek, D.: Thermooxidative stability of polymethyl methacrylate containing nanoparticles of silica/titania and silica/zirconia, Chem. Pap. 62(2), 176-180 (2008).


Bubeníková, S., Lacík, I., Bakoš, D., Vodná, L.: Chitosan polyelectrolyte comlexes for use in tissue engineering and drug delivery, J. Mat. Sci. 539-543, 577-582 (2007).

Vodná, L., Bubeníková, S., Bakoš, D.: Chitosan based hydrogel microspheres as drug carriers, Macromol. Biosci. 7, 629-634 (2007).


Bialopiotrowicz T., Janczuk B., Fiedorowicz, Khachtryan G., Tomasik P., Bakoš D.: Hyaluronan-lecitin foils and their properties, Mater. Chem. Phys. 95, 99-104 (2006).

Kukolikova L, Bakos D, Alexy P, et al.: Optimization of the properties of chitosan lactate/hyaluronan film, J. Appl. Polymer Sci. 100 (2), 1413-1419 (2006).


Poruban D., Bakoš D., Danišovič L., Bohmer D., Blaško M., Vojtaššak J.: In vitro prepared autologous graft from bucal mucosa - clinical application, Case Rep. Clin. Pract. Rev. 6, 62-67 (2005).