Miertuš, S., Scrocco, E., Tomasi, J.: Electrostatic interaction of one molecule with a continuun. A direct utilization of ab initio molecular potentials for the prevision of solvent effects, Chemical Physsics. 55(1), 117- 127 (1981). I.F.=1.72; 7205/1998 citations

Miertuš, S., Katrlik, J., Pizzariello, A., Stredanský, M., Švitel, J., Švorc, J.: Amperometric biosensors based on solid binding matrices applied in food quality monitoring,Biosensors and Bioelectronics, 13, 911-923, (1998). I.F.= 5.61; 73/12 citations

Pizzariello, A., Streďanský, M., Miertuš, S.: A glucose/hydrogen peroxide biofuel cell that uses oxidase and peroxidase as catalysts by composite bulk-modified bioelectrodes based on solid binding matrix, Bioelectrochemistry 56(1-2), 99-105 (2002). I.F.=3.789; 99/23 citations

Tóth, R., Ferrone,M., Miertus, S., Chiellini, E., S., Fermeglia,M., Pricl, S.: Structure and Energetics of Biocompatible Polymer Nanocomposites Systems: A Molecular Dynamic Study, Biomacromolecules 7, 1714-1719 (2006), I.F.=5.722; 40/9 citations

Rugrotmongkol, T.; Frecer, V.; De-Eknamkul, W.; Hannongbua, S.; Miertus, S.: Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1. Antivir. Res. 82(1):51-8 (2009). I.F.= 4.307; 43/10 citations

Legerská, B., Chmelová, D., Ondrejovič, M., Miertuš, S.: The TLC-Bioautography as a Tool for Rapid Enzyme Inhibitors detection - A Review. Critical Reviews in Analytical Chemistry, 2022, 52(2), pp. 275–293. 16/14 citations.

Miertuš S., et al.:, Current state and prospects of biotechnology in central and eastern European countries.Part I: Visegrad countries (CZ, H, PL, SK); Part II: New and pre-accession EU countries (CRO, RO, B&H, SRB), Crit. Rev. Biotechnol., 39(1), 114-136, 137 -155 (2019). (I.F.= 5.239), 5/5 citations

Kouman, K.C., Keita, M., N’Guessan, R.K., ...Frecer, V., Miertus, S.: Structure-based design and in silico screening of virtual combinatorial library of benzamides inhibiting 2-trans enoyl-acyl carrier protein reductase of mycobacterium tuberculosis with favorable predicted pharmacokinetic profiles. International Journal of Molecular Sciences, 2019, 20(19), 4730. 3/2 citations.

Allangha, K.N.P.G., Keita, M., Kre N´Guessan, R., Megnassan, E., Frecer, V., Miertuš, S.: Virtual design of novel Plasmodium falciparum cysteine protease falsipain-2 hybrid lactone-chalcone and isatin-chalcone inhibitors probing the S2 active site pocket. Journal of Enzyme Inhibition and Medicinal Chemistry 34(1) 547-561 (2019), I.F. = 4.850; 3/4 citations

Hľasová, Z., Košík, I., Ondrejovič, M., Miertuš, S., Katrlík, J.: Methods and current trends in determination of neuraminidase activity and evaluation of neuraminidase inhibitors. Critical Reviews in Analytical Chemistry 49(4) 350-367 (2019), I.F. = 4,568; 3/3 citations

Miertuš, S., Scrocco, E., Tomasi, J.: Electrostatic interaction of a solute with a continuum. A direct utilization of AB initio molecular potentials for the prevision of solvent effects. Chemical Physics, 1981, 55/1, s. 117 – 129 [I.F.(2019) = 1,771; citácie SCOPUS: 6987; za posl. 5 rokov (2015-2019): 2001. Hidalgo, J.R., Neske, A., Iramain, M.A., Alvarez, P.E., Bongiorno, P.L., Brandán, S.A.: Experimental isolation and spectroscopic characterization of squamocin acetogenin combining FT-IR, FT-Raman and UV–Vis spectra with DFT calculations. (2020) Journal of Molecular Structure, 1219, art. no. 128610. Karrouchi, K., Brandán, S.A., Sert, Y., El-marzouqi, H., Radi, S., Ferbinteanu, M., Faouzi, M.E.A., Garcia, Y., Ansar, M.: Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide.(2020) Journal of Molecular Structure, 1219, art. no. 128541. Dmitrieva, O.A., Ivanova, Y.B., Semeikin, A.S., Mamardashvili, N.Z.: Fluorescence properties and quantum-chemical modeling of tert-butyl-substituted porphyrazines: Structural and ionization effect.(2020) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 240, art. no. 118601. Rădulescu-Grad, M.E., Visa, A., Milea, M.S., Lazău, R.I., Popa, S., Funar-Timofei, S.: Synthesis, spectral characterization, and theoretical investigations of a new azo-stilbene dye for acrylic resins.(2020) Journal of Molecular Structure, 1217, art. no. 128380. Liu, Y., Xu, Q., Sun, J., Wang, L., He, D., Wang, M., Yang, C.: Insights for vibronic effects on spectral shapes of electronic circular dichroism and circularly polarized luminescence of aza[7]helicene.(2020) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 239, art. no. 118475. Spanget–Larsen, J.: Chrysazin semiquinone radical anion. A theoretical study of the influence of the solvent on the electron spin resonance spectrum. (2020) Computational and Theoretical Chemistry, 1185, art. no. 112878. Benassi, E., Fan, H.: Determination of the molecular size from measurements of vapour pressure of binary liquid mixtures. Theory, experiments and quantum chemical calculations.(2020) Journal of Molecular Liquids, 313, art. no. 113202. Singh, A., Eftekhari, E., Scott, J., Kaur, J., Yambem, S., Leusch, F., Wellings, R., Gould, T., Ostrikov, K., Sonar, P., Li, Q.: Carbon dots derived from human hair for ppb level chloroform sensing in water.(2020) Sustainable Materials and Technologies, 25, art. no. e00159, . Younus, H.A., Vandichel, M., Ahmad, N., Ahlberg, E., Busch, M., Verpoort, F.: Engineering of a highly stable metal-organic Co-film for efficient electrocatalytic water oxidation in acidic media.(2020) Materials Today Energy, 17, art. no. 100437. Kaur, A., Kaur, N., Chaudhary, G.R.: Volumetric and acoustic approach for investigating molecular interactions of choline acetate ionic liquid in α,ω-alkanediols at different temperatures(2020) Journal of Molecular Liquids, 312, art. no. 113330.

Sivasamy, A., Cheah, K.Y., Fornasiero, P., Kemausuor, F., Zinoviev, S., Miertuš, S.: Catalytic applications in the production of biodiesel from vegetable oils. ChemSusChem, 2009, 2/4, s. 278-300 [I.F.(2019) = 7,962; citácie SCOPUS: 232; za posl. 5 rokov (2015-2019): 115. Yu, P., Chen, C., Li, G., Wang, Z., Li, X.:Active, selective, and recyclable Zr(SO4)2/SiO2 and Zr(SO4)2/activated carbon solid acid catalysts for esterification of malic acid to dimethyl malate.(2020) Catalysts, 10 (4), art. no. 384. Peng, W., Hao, P., Luo, J., Peng, B., Han, X., Liu, H.:Guanidine-Functionalized Amphiphilic Silica Nanoparticles as a Pickering Interfacial Catalyst for Biodiesel Production.(2020) Industrial and Engineering Chemistry Research, 59 (10), pp. 4273-4280. Chen, X., Li, Z., Chun, Y., Yang, F., Xu, H., Wu, X.:Effect of the Formation of Diglycerides/Monoglycerides on the Kinetic Curve in Oil Transesterification with Methanol Catalyzed by Calcium Oxide.(2020) ACS Omega, 5 (9), pp. 4646-4656. Gohain, M., Laskar, K., Paul, A.K., Daimary, N., Maharana, M., Goswami, I.K., Hazarika, A., Bora, U., Deka, D.: Carica papaya stem: A source of versatile heterogeneous catalyst for biodiesel production and C–C bond formation. (2020) Renewable Energy, 147, pp. 541-555. Yesilyurt, M.K., Cesur, C., Aslan, V., Yilbasi, Z.: The production of biodiesel from safflower (Carthamus tinctorius L.) oil as a potential feedstock and its usage in compression ignition engine: A comprehensive review.(2020) Renewable and Sustainable Energy Reviews, 119, art. no. 109574. Clohessy, J., Kwapinski, W.:Carbon-based catalysts for biodiesel production-A review.(2020) Applied Sciences (Switzerland), 10 (3), art. no. 918. Vasić, K., Podrepšek, G.H., Knez, Ž., Leitgeb, M.: Biodiesel production using solid acid catalysts based on metal oxides.(2020) Catalysts, 10 (2), art. no. 237. Bastos Andrade, C.G., Shimba, M., Freitas, G., Kobayashi, L.M., Toffoli, S.M., Valenzuela Diaz, F.R.: Evaluation of biodiesel obtained from waste cooking oil purified with a modified clay. (2020) Minerals, Metals and Materials Series, PartF1, pp. 343-355. Estevez, R., Aguado-Deblas, L., Bautista, F.M., Luna, D., Luna, C., Calero, J., Posadillo, A., Romero, A.A.. Biodiesel at the crossroads: A critical review. (2019) Catalysts, 9 (12), art. no. 1033. Pan, L., Xiang, F., Cheng, Z., Zhao, X., Fu, L., Li, Y., Liu, Y.: Synthesis of Biodiesel from Soybean Oil with Methanol Catalyzed by Ni-Doped CaO-MgO Catalysts.(2019) ChemistrySelect, 4 (37), pp. 11181-11188.

Zinoviev, S., Muller-Langer, F., Das, P., Bertero, N., Fornasiero, P. Kaltschmitt, M., Centi, G., Miertuš, S.: Next-generation biofuels: Survey of emerging technologies and sustainability issues. ChemSusChem, 2010, 3/10, s. 1106-1133 [I.F.(2019) = 7,962; citácie SCOPUS: 199; za posl. 5 rokov (2015-2019): 95 Martínez Figueredo, K.G., Segobia, D.J., Bertero, N.M.: Influence of the preparation method on the performance of Ni-based bifunctional catalysts in the one-pot conversion of γ-valerolactone to valeric biofuel.(2020) Catalysis Communications, 144, art. no. 106087. Nirmala, N., Dawn, S.S., Harindra, C.: Analysis of performance and emission characteristics of Waste cooking oil and Chlorella variabilis MK039712.1 biodiesel blends in a single cylinder, four strokes diesel engine.(2020) Renewable Energy, 147, pp. 284-292. Ghorbanloo, M., Nazari, P.: A soft anionic hydrogel reactor for silver nanoparticle preparation and use in H2 production, 4-nitrophenol reduction and alcohol oxidation.(2020) Journal of Porous Materials, 27 (1), pp. 37-47. Buravets, V., Minhová Macounová, K., Nebel, R., Zukalová, M., Kavan, L., Krtil, P.: Surface Sensitivity of Hydrogen Evolution and Formaldehyde Reduction on Differently Oriented TiO2 Anatase Nanocrystals.(2020) Electrocatalysis, In Press. Peng, Z., Zhang, H., Tian, H., Shan, L., Zhang, Z., Ding, H., Gao, W., Li, X.: The Phylogeny and Functional Characterization of Peanut Acyl-ACP Thioesterases.(2020) Journal of Plant Growth Regulation, In Press. Tahir, M., Tasleem, S., Tahir, B.:Recent development in band engineering of binary semiconductor materials for solar driven photocatalytic hydrogen production.(2020) International Journal of Hydrogen Energy, In Press. Su, M., Li, W., Ma, Q., Li, S., Yang, T., Dou, X.:Efficient Synthesis of Liquid Fuel Intermediates from Furfural and Levulinic Acid via Aldol Condensation over Hierarchical MFI Zeolite Catalyst.(2019) Energy and Fuels, 33 (12), pp. 12518-12526. Tišler, Z., Vondrová, P., Hrachovcová, K., Štěpánek, K., Velvarská, R., Kocík, J., Svobodová, E.: Aldol condensation of cyclohexanone and furfural in fixed-bed reactor.(2019) Catalysts, 9 (12), art. no. 1068. Batlle-Vilanova, P., Rovira-Alsina, L., Puig, S., Balaguer, M.D., Icaran, P., Monsalvo, V.M., Rogalla, F., Colprim, J.: Biogas upgrading, CO2 valorisation and economic revaluation of bioelectrochemical systems through anodic chlorine production in the framework of wastewater treatment plants.(2019) Science of the Total Environment, 690, pp. 352-360. Adilina, I.B., Rinaldi, N., Simanungkalit, S.P., Aulia, F., Oemry, F., Stenning, G.B.G., Silverwood, I.P., Parker, S.F.: Hydrodeoxygenation of Guaiacol as a Bio-Oil Model Compound over Pillared Clay-Supported Nickel-Molybdenum Catalysts. (2019) Journal of Physical Chemistry C, 123 (35), pp. 21429-21439.

Luca Marcorin, G., Da Ros, T., Castellano, S., Stefancich, G., Bonin, I., , Miertuš, S., Prato, M.: Design and synthesis of novel [60]fullerene derivatives as potential HIV aspartic protease inhibitors. Organic Letters, 2000, 2/25, s. 3955-3957 [I.F.(2019); citácie SCOPUS: 109; za posl. 5 rokov (2015-2019): 16. di Giosia, M., Valle, F., Cantelli, A., Bottoni, A., Zerbetto, F., Calvaresi, M.: C60 bioconjugation with proteins: Towards a palette of carriers for all pH ranges. (2018) Materials, 11 (5), art. no. 691. Stankovic, B., Jovanovic, J., Adnadjevic, B.: Application of the Suzuki–Fraser function in modelling the non-isothermal dehydroxylation kinetics of fullerol. (2018) Reaction Kinetics, Mechanisms and Catalysis, 123 (2), pp. 421-438. Chen, S.H., Kang, S.-G., Luo, J., Zhou, R.: Charging nanoparticles: Increased binding of Gd@C82(OH)22 derivatives to human MMP-9. (2018) Nanoscale, 10 (12), pp. 5667-5677. Yang, H., Huang, Z., Zhang, Y.: Effect of C60 on the phase transition behavior of a lipid bilayer under high pressure.(2018) RSC Advances, 8 (2), pp. 655-661. Cohen, N., Levi-Kalisman, Y., Yerushalmi – Rozen, R.: Concentration dependent response to pH modification and salt addition of polymeric dispersions of C60 fullerenes. (2017) Polymer, 127, pp. 159-165. Wang, Y., Díaz-Tendero, S., Alcamí, M., Martín, F.: Relative stability of empty exohedral fullerenes: Π Delocalization versus strain and steric hindrance. (2017) Journal of the American Chemical Society, 139 (4), pp. 1609-1617. Matloubi Moghaddam, F., Ghanbari, B., Behzadi, M., Baghersad, M.H.: Synthesis of Tetrahydrothiopyrano[2,3-b]indole [60]Fullerene Derivatives via Hetero-Diels–Alder Reaction of C60 and α,β-Unsaturated Indole-2-thiones. (2017) Journal of Heterocyclic Chemistry, 54 (2), pp. 911-915. Soares Lopes, L.Q., De Souza, M.E., De Almeida Vaucher, R., Vianna Santos, R.C.: Antimicrobial activity of nanotechnological products. (2017) Drug Delivery Approaches and Nanosystems: Volume 1: Novel Drug Carriers, pp. 361-382. Sabounchei, S.J., Yousefi, A.: Developments in exohedral fullerene chemistry and their applications. (2017) Advances in Chemistry Research, 42, pp. 67-130. Martinez, Z.S., Castro, E., Seong, C.-S., Cerón, M.R., Echegoyen, L., Llano, M.: Fullerene derivatives strongly inhibit HIV-1 replication by affecting virus maturation without impairing protease activity. (2016) Antimicrobial Agents and Chemotherapy, 60 (10), pp. 5731-5741.

Toth, R., Coslanich, A., Ferrone, M., Fermeglia, M., Pricl, S., Miertus, S., Chiellini, E.: Computer simulation of polypropylene/organoclay nanocomposites: characterization of atomic scale structure and prediction of binding energy. (2004) Polymer, 45, pp. 8075-8083 [I.F.(2019) = 4.231; citácie SCOPUS: 83; za posl. 5 rokov: 16. Ouachtak, H., El Haouti, R., El Guerdaoui, A., Haounati, R., Amaterz, E., Addi, A.A., Akbal, F., Taha, M.L.: Experimental and molecular dynamics simulation study on the adsorption of Rhodamine B dye on magnetic montmorillonite composite γ-Fe2O3@Mt. (2020) Journal of Molecular Liquids, 309, art. no. 113142. Kim, D.-H., Hwang, Y.-T., Kim, H.-S.: Investigation of Mechanical and Hygroscopic Properties for the Semi-crystalline Polypropylene Polymer Via Experiments and Molecular Dynamics. (2020) International Journal of Precision Engineering and Manufacturing - Green Technology, In press. Bergaoui, M., Nakhli, A., Benguerba, Y., Khalfaoui, M., Erto, A., Soetaredjo, F.E., Ismadji, S., Ernst, B.: Novel insights into the adsorption mechanism of methylene blue onto organo-bentonite: Adsorption isotherms modeling and molecular simulation. (2018) Journal of Molecular Liquids, 272, pp. 697-707. Azevedo Rios Silva, F., Araújo Sales, M.J., Ghoul, M., Chebil, L., Duarte Ramos Matos, G., Maia, E.R.: Molecular dynamics simulations of montmorillonite reinforcing amylose plasticized by Brazilian Cerrado oils: Polymer-clay nanocomposite. (2018) MRS Communications, 8 (2), pp. 266-274. Laurini, E., Marson, D., Fermeglia, M., Pricl, S.: Multimodel approach for accurate determination of industry-driven properties for Polymer Nanocomposite Materials. (2018) Journal of Computational Science, 26, pp. 28-38. Yildirim, E., Yurtsever, M., Eriman, B., Uyanik, N.: Experimental and MD simulation study on the physical and mechanical properties of organically modified montmorillonite clay and compatibilized linear low density polyethylene nanocomposites. (2018) Journal of Applied Polymer Science, 135 (6), art. no. 45817. Dai, S., Liu, Y., Zhang, J., Zhang, T., Huang, Z., Zhao, X.: Molecular dynamic simulation of core–shell structure: study of the interaction between modified surface of nano-SiO2 and PAMAA in vacuum and aqueous solution. (2017) Composite Interfaces, 24 (9), pp. 897-914. Jia, F., Yang, B., Wan, Q., Song, S.: Variation of interlayer binding energy of muscovite in its swelling. (2017) Computational Materials Science, 132, pp. 74-80. Madakbaş, S., Türk, Z., Şen, F., Kahraman, M.V.: Thermal and Morphological Properties of Organo Modified Nanoclay/Polyethylene Terephthalate Composites. (2017) Journal of Inorganic and Organometallic Polymers and Materials, 27 (1), pp. 31-36. Zhou, Y., Hou, D., Jiang, J., She, W., Li, J.: Molecular dynamics study of solvated aniline and ethylene glycol monomers confined in calcium silicate nanochannels: A case study of tobermorite. (2017) Physical Chemistry Chemical Physics, 19 (23), pp. 15145-15159.

1. APVV-15-0111 "Development and comprehensive characterization of biosynthetic tubular

3Dextracellular matrices (skafolds) as substitutes for the damaged human urethra"

H2020-MC-ITN-IPCOS "Imprinted Polymers as Coffee Sensors" 2014 - 2018

DTP1-175-3.2 EC- INTERREG project “ENERGY BARGE – Building a Green Energy and Logistics Belt” (2016-2019)

APVV-17-0239 Computational design, synthesis, testing and disposition of neuraminidase inhibitors of influenza A virus as potential antiviral agents (2018 - 2021)

APVV-18-0420 Biotechnological preparation of PHA-based bioplastics with programmed release biopolymer and its potential applications (2019- 2023)