Scientific publications


Juretić, D., Golemac, A., Strand, D.E., Chung, K., Ilić, N., Goić-Barišić, I., Pellay, F.-X. "The spectrum of design solutions for improving the activity-selectivity product of peptide antibiotics against multidrug-resistant bacteria and prostate cancer PC-3 cells." Molecules 25 (2020): 3526. DOI: 10.3390/molecules25153526.


Juretić, D., Simunić, J. "Design of α-helical antimicrobial peptides with a high selectivity index." Expert Opin. Drug Discov. 14, 1053-1063 (2019). DOI: 10.1080/17460441.2019.1642322. Citations 5.

Juretić, D., Bonačić Lošić, Ž., Kuić, D., Simunić, J., Dobovišek. A. "The maximum entropy production requirement for proton transfers enhances catalytic efficiency for β-lactamases." Biophys. Chem. 244, 11-21 (2019). DOI: 10.1016/j.bpc.2018.10.004. Citations 1.

Juretić, D., Simunić, J., Bonačić Lošić, Ž. "Maximum entropy production theorem for transitions between enzyme functional states and its applications." Entropy 21, 743 (2019). DOI: 10.3390/e21080743. Citations 1.


Juretić, D., Sonavane, Y., Ilić, N., Gajski, G., Goić-Barišić, I., Tonkić, M., Kozic, M., Maravić, A., Pellay, F.-X., Zoranić, L. "Designed peptide with a flexible central motif from ranatuerins adapts its conformation to bacterial membranes." Biochim. Biophys. Acta 1860, 2655-2668 (2018). DOI: 10.1016/j.bbamem.2018.10.005. Citations 3.

T. Rončević, D. Vukičević, N. Ilić, L. Krce, G. Gajski, M. Tonkić, I. Goić-Barišić, L. Zoranić, Y. Sonavane, M. Benincasa, D. Juretić, A. Maravić, A. Tossi. "Antibacterial activity affected by the conformational flexibility in glycine−lysine based α-helical antimicrobial peptides." J. Med. Chem. 61, 2924-2936 (2018). DOI: 10.1021/acs.jmedchem.7b01831. Citations 35.


M.-A. Sani, C. Saenger, D. Juretić and F. Separovic: “Glycine Substitution Reduces Antimicrobial Activity and Helical Stretch of diPGLa-H in Lipid MicellesThe Journal of Physical Chemistry B, 121 (18), 4817–4822 (2017), DOI: 10.1021/acs.jpcb.7b03067

Tomislav Rončević, Goran Gajski, Nada Ilić, Ivana Goić-Barišić, Marija Tonkić, Larisa Zoranić, Juraj Simunić, Monica Benincasa, Marijana Mijaković , Alessandro Tossi, Davor Juretić: “PGLa-H tandem-repeat peptides active against multidrug resistant clinical bacterial isolates”. BBA-Biomembranes, 1859, 228-237 (2017)., DOI: 10.1016/j.bbamem.2016.11.011

Davor Juretić, Damir Vukičević, Alessandro Tossi: “Tools for designing amphipathic helical antimicrobial peptides”. Methods in Molecular Biology book series, published as one chapter of the book: Antimicrobial Peptides: Methods and Protocols 2017. DOI: 10.1007/978-1-4939-6737-7_2


Željana Bonačić Lošić, Tomislav Donđivić, Davor Juretić: “Is the catalytic activity of triosephosphate isomerase fully optimized? An investigation based on maximization of entropy production.” J. Biol. Phys. DOI: 10.1007/s10867-016-9434-3


Mara Kozić, Damir Vukičević, Juraj Simunić, Tomislav Rončević, Nikolinka Antcheva, Alessandro Tossi, Davor Juretić, “Predicting the Minimal Inhibitory Concentration for Antimicrobial Peptides with Rana-box Domain.Journal of Chemical Information and Modeling, 55, 2275-2287 (2015).  DOI: 10.1021/acs.jcim.5b00161. Epub 2015 Sep 18. Citations 2.


Juraj Simunić, Dražen Petrov, Tahar Bouceba, Nedia Kamech, Monica Benincasa, Davor Juretić: “Trichoplaxin — A new membrane-active antimicrobial peptide from placozoan cDNA”. BBA-Biomembranes, 1838, 1430-1438 (2014). DOI: 10.1016/j.bbamem.2014.02.003 Citations 3.

Andrej Dobovišek, Paško Županović, Milan Brumen, Davor Juretić: “Maximum entropy production and maximum Shannon entropy as the germane principles for the evolution of enzyme kinetics”. Published as a book chapter in Beyond the Second Law: Entropy Production and Non-Equilibrium Systems (R.C. Dewar, C. Lineweaver, R. Niven, K. Regenauer-Lieb, eds.), pp. 361-382, Springer (2014). DOI: 10.1007/978-3-642-40154-1_19 Citations 3.


Nada Ilić, Mario Novković, Filomena Guida, Daniela Xhindoli, Monica Benincasa, Alessandro Tossi, Davor Juretić: “ Selective antimicrobial activity and mode of action of adepantins, glycine-rich peptide antibiotics based on anuran antimicrobial peptide sequences”. BBA-Biomembranes, 1828, 1004-1012 (2013). Available online from 26. November 2012. DOI: 10.1016/j.bbamem.2012.11.017. Citations 34.


Nédia Kamech, Damir Vukičević, Ali Ladram, Christophe Piesse, Julie Vasseur, Viktor Bojović, Juraj Simunić, Davor Juretić: “Improving the selectivity of antimicrobial peptides from anuran skin”. Journal of Chemical Information and Modeling52, 3341–3351 (2012)  Available online from 24. October 2012. DOI: 10.1021/ci300328y Citations 8.

Mario Novković, Juraj Simunić, Viktor Bojović, Alessandro Tossi, Davor Juretić: “DADP: the Database of Anuran Defense Peptides”. Bioinformatics J., 28, 1406-1407 (2012). DOI: 10.1093/bioinformatics/bts141 Citations 116.

Valentina Tessera, Filomena Guida, Davor Juretić, Alessandro Tossi: “Identification of antimicrobial peptides from teleosts and anurans in expressed sequence tag databases using conserved signal sequencesFEBS Journal,279, 724–736 (2012). DOI: 10.1111/j.1742-4658.2011.08463.x Citations 13.

Domagoj Kuić, Paško Županović, Davor Juretić: “Macroscopic time evolution and MaxEnt inference for closed systems with Hamiltonian dynamicsFoundations of Physics, 42, 319-339 (2012). DOI: 10.1007/s10701-011-9604-x Citations 7.


Davor Juretić, Damir Vukičević, Dražen Petrov, Mario Novković, Viktor Bojović, Bono Lučić, Nada Ilić, Alessandro Tossi: “Knowledge-based computational methods for identifying or designing novel, non-homologous antimicrobial peptides”. Eur. Biophys. J., 40, 371-385 (2011). DOI: 10.1007/s00249-011-0674-7 Citations 29.

Andrej Dobovišek, Paško Županović, Milan Brumen, Željana Bonačić-Lošić, Domagoj Kuić, and Davor Juretić: “Enzyme kinetics and the maximum entropy production principle” Biophysical Chemistry, 154, 49-55 (2011). DOI: 10.1016/j.bpc.2010.12.009 Citations 11.

S. Afonin, D. Juretić, F. Separovic, A.S. Ulrich: “Special issue on membrane-active peptidesEuropean Biophysics Journal, 40, 347-348 (2011). DOI: 10.1007/s00249-011-0670-y Citations 2.


Paško Županović, Milan Brumen, Marko Jagodič, Davor Juretić: “Bacterial chemotaxis and entropy productionPhilosophical Transactions of the Royal Society B, 365, 1397-1403 (2010). DOI: 10.1098/rstb.2009.0307 Citations 5.

Paško Županović, Srećko Botrić, Davor Juretić, Domagoj Kuić: “Relaxation Processes and the Maximum Entropy Production PrinciplesEntropy, 12, 473-479 (2010). DOI: 10.3390/e12030473 Citations 1.

Paško Županović, Domagoj Kuić, Davor Juretić, Andrej Dobovišek: “On the Problem of Formulating Principles in Nonequilibrium ThermodynamicsEntropy, 12, 926-931 (2010). DOI: 10.3390/e12040926 Citations 4.

Paško Županović, Domagoj Kuić, Željana Bonačić-Lošić, Dražen Petrov, Davor Juretić, Milan Brumen: “The Maximum Entropy Production Principle and Linear Irreversible ProcessesEntropy 12, 996-1005 (2010). DOI: 10.3390/e12050996 Citations 14.


D. Juretić, Damir Vukičević, Nada Ilić, Nikolinka Antcheva, Alessandro Tossi: “Computational Design of Highly Selective Antimicrobial PeptidesJ. Chem. Inf. Model., 49, 2873-2882 (2009). DOI: 10.1021/ci900308u Citations 85.


R. C. Dewar, D. Juretić, P. Županović: “The functional design of the rotary enzyme ATP synthase is consistent with maximum entropy productionChemical Physics Letters, 430, 177-182 (2006). DOI: 10.1016/j.cplett.2006.08.095 Citations 41.

P. Županović, S. Botrić, D. Juretić: “Relaxation Processes, MaxEnt Formalism and Einsten’s Formula for the Probability of FluctationsCroatica Chemica Acta, 79, 335-338 (2006). Citations 10.


D. Juretić, B. Lučić, N. Trinajstić: “Why focusing on bioinformatics?Periodicum Biologorum, 107, 379–383, (2005). Citations 4. 

D. Juretić, P. Županović: “The free-energy transduction and entropy production in initial photosynthetic reactions” in the book Non-equilibrium Thermodynamics and the Production of Entropy, Eds. A. Kleidon i R.D. Lorenz,Springer,-Verlag, Berlin (2005); pp. 161-171. DOI: 10.1007/11672906_13 Citations 7.

P. Županović, D. Juretić, S. Botrić: “On the equivalence between Onsager’s principle of the least dissipation of energy and maximum entropy production principle. Conduction of heat in an anisotropic crystal.FIZIKA A, 14, 89–96,(2005). Citations 6.

S. Botrić, P. Županović, D. Juretić: “Is the Stationary Current Distribution in a Linear Planar Electric Network Determined by the Principle of Maximum Entropy ProductionCroatica Chemica Acta, 78, 181-184 (2005). Citations 8.


D. Zucić, D. Juretić: “ Precise Annotation of Transmembrane Segments with Garlic – a Free Molecular Visualization ProgramCroatica Chemica Acta, 77, 397-401 (2004). Citations 13.

P. Županović, D. Juretić: “The Chemical Cycle Kinetics Close to the Equilibrium State and Electrical Circuit AnalogyCroatica Chemica Acta, 77, 561-571 (2004). Citations 15.

P. Županović, D. Juretić, S. Botrić: “Kirchhoff’s loop law and the maximum entropy production principlePhysical Review E 70, 056108 (2004). DOI: 10.1103/PhysRevE.70.056108 Citations 51.


D. Juretić, P. Županović: “Photosynthetic Models with Maximum Entropy Production in Irreversible Charge Transfer Steps”, Comp. Biol. Chem., 27,541-553(2003). DOI: 10.1016/j.compbiolchem.2003.09.001 Citations 79.


D. Juretić, L. Zoranić, D. Zucić: "Basic charge clusters and predictions of membrane protein topology". J. Chem. Inf. Coput. Sci., 42, 620-632 (2002). DOI: 10.1021/ci010263s Citations 237.


D. Juretić, A. Jerončić, D. Zucić, "Sequence analysis of membrane proteins with the web server SPLIT". Croatica Chemica Acta, 72, 975-997 (1999). Citations 24.

D. Juretić, A. Jerončić, D. Zucić, "Prediction of initiation sites for protein folding with helix preferences". Periodicum Biologorum, 101, 339-347 (1999). DOI: 10.1042/bst028a446c Citations 3.


D. Juretić, B. Lučić, D. Zucić, N. Trinajstić, '' Protein transmembrane structure: recognition and prediction by using hydrophobicity scales through preference functions.'' p. 405-445 as book chapter in the book "Theoretical and Computational Chemistry ", Vol 5. Theoretical Organic Chemistry (Edited by Parkanyi, C.), Elsevier Science, Amsterdam, (1998). DOI: 10.1016/S1380-7323(98)80015-0 Citations 25.

D. Juretić, D. Zucić, B. Lučić and N. Trinajstić, " Preference functions for prediction of membrane-buried helices in integral membrane proteins." Computers and Chemistry, 22, 279-294 (1998). DOI: 10.1016/S0097-8485(97)00070-3 Citations 37.

D. Juretić, A. Lučin, " The preference functions method for predicting helical turns with membrane propensity. " Journal of Chemical Information and Computer Sciences, 38, 575-585 (1998). DOI: 10.1021/ci970073a Citations 26.


B. Lučić, N. Trinajstić, D. Juretić, '' Recognition of membrane protein structure from amino acid sequence.'' p. 117-158 as book chapter in the book "From Chemical Topology to Three-Dimensional Geometry " (Edited by Balaban, A.T) Plenum Publishing Corporation, New York, (1997). DOI: 10.1007/0-306-46907-3_5


B. Lučić, N. Trinajstić, D. Juretić, "From protein sequence to conformation I". (in Croatian).   Polimeri, 17, 119-128 (1996).


H.V. Westerhoff, M. Zasloff, J.L. Rosner, R.W. Hendler, A.De Wall, A Vaz Gomez, A.P.M. Jongsma, A. Riethorst, D. Juretić, "Functional synergism of the magainins PGLa and magainin-2 in Escherichia coli, tumor cells and liposomes". Eur. J. Biochem., 228, 257-264 (1995). DOI: 10.1111/j.1432-1033.1995.0257n.x Citations 162.

D. Juretić, B. Lučić, N. Trinajstić, "Secondary structure prediction quality for naturally occurring amino acids in soluble proteins". Journal of Molecular Structure (Theochem), 338, 43-50 (1995). DOI: 10.1016/0166-1280(94)04047-V Citations 3.

D. Juretić and R. Pešić, "A scale of beta-preferences for structure-activity predictions in soluble proteins". Croatica Chemica Acta, 68, 215-232 (1995). Citations 2.

B. Lučić, S. Nikolić, N. Trinajstić, A. Jurić, D. Juretić, "A novel QSPR approach to physicochemical properties of the alpha-amino acids". Croatica Chemica Acta, 68, 435-450 (1995). Citations 43.

B. Lučić, S. Nikolić, N. Trinajstić, D. Juretić, The Structure-Property Models can be Improved  Using the Orthogonalized Descriptors.   Journal of Chemical Information and Computer Science, 35, 532-538 (1995). DOI: 10.1021/ci00025a022 Citations 95.


D. Juretić, R. W. Hendler, F. Kamp, W. S. Caughey, M. Zasloff, H. V.Westerhoff, "Magainin oligomers reversibly dissipate membrane potential in cytochrome oxidase liposomes". Biochemistry, 33, 4562-4570 (1994). DOI: 10.1021/bi00181a017 Citations 45.


D. Juretić, B.K. Lee, N. Trinajstić, R.W. Williams, "Conformational preference functions for predicting helices in membrane proteins". Biopolymers, 33, 255-273 (1993). DOI: 10.1002/bip.360330208 Citations 44.

D. Juretić, N. Trinajstić, B. Lučić, "Protein secondary structure conformations and associated hydrophobicity scales". J. Math. Chem., 14, 35-45 (1993). DOI: 10.1007/BF01164453 Citations 5.

D. Juretić, B. Lučić, N. Trinajstić, "Predicting membrane protein secondary structure. Preference functions method for finding optimal conformational preferences". Croatica Chemica Acta, 66, 201-208 (1993). Citations 8.

D. Juretić, "Hydrophobicity preferences and secondary structure prediction for membrane proteins". Acta Pharmaceutica, 43, 223-226 (1993).


D. Juretić, "Secondary structure of membrane proteins: Prediction with conformational preference functions of soluble proteins". Croatica Chemica Acta, 65, 921-932 (1992). Citations 4.

D. Juretić, "Membrane free-energy converters: The benefits of intrinsic uncoupling and nonlinearity". Acta Pharmaceutica, 42, 373-376 (1992).


D. Juretić, R.W. Williams "Protein secondary structure preferences: dependence on medium-range steric interactions" J. Math. Chem., 8, 229-242 (1991). Citations 4.

D. Juretić, "Damped oscillatory control of mitochondrial energy linked processes observed in the presence of magainins" Period. biol., 93, 277-278 (1991).

D. Juretić, "Localizing alpha-helices in water-soluble and membrane-bound proteins". Period. biol., 93, 279-280 (1991). Citations 2.


D. Juretić, "Antimicrobial peptides of the magainin family: membrane depolarization studies on E. coli and cytochrome oxidase liposomes", Studia Biophysica, 138, 79-86 (1990). Citations 13.


D. Juretić, B. Lee, "Secondary structure preferences of amino acids in proteins as analytical functions of local hydrophobicity in the primary structure", Biophys. J., 55, 354 (1989).

D. Juretić, R.W. Hendler, M. Zasloff, H.V. Westerhoff, "Cooperative action of magainins in disrupting membrane-linked free-energy transduction", Biophys. J., 55, 572 (1989). Citations 6.

D. Juretić, H.-C. Chen, J.H. Brown, J.L. Morell, R.W. Hendler, H.V. Westerhoff, "Magainin 2 amide and analogues. Antimicrobial activity, membrane depolarization and susceptibility to proteolysis", FEBS Letters, 249, 219-223, (1989). DOI: 10.1016/0014-5793(89)80627-1 Citations 91.

H.V. Westerhoff, D. Juretić, R.W. Hendler, M. Zasloff, "Magainins and the disruption of membrane-linked free-energy transduction", Proc. Natl. Acad. Sci. USA, 86, 6597-6601 (1989). DOI: 10.1073/pnas.86.17.6597 Citations 348.

H.V. Westerhoff, R.W. Hendler, M. Zasloff and D. Juretić, "Interactions between a new class of eukaryotic antimicrobial agents and isolated rat liver mitochondria", Biochim. Biophys. Acta, 975, 361-369 (1989). DOI: 10.1016/S0005-2728(89)80344-5 Citations 62.


D. Kotnik-Karuza, G. Pifat, D. Juretić, "Tryptophan - a protein fluorescent probe in myelin-basic protein and low density lipoproteins".   Jugoslav. Med. Biokem.,  7, 71-80 (1988).

P. Cavatorta, L. Masotti, A.G. Szabo, D. Juretić, P. Riccio,  E. Quagliariello, "Fluorescence spectral resolution of myelin basic protein conformers in complexes with lysophosphatidylcholine", Cell Biophysics, 13, 201-215 (1988). DOI: 10.1007/BF02918376 Citations 13.

D. Juretić, R.W. Hendler, H.V. Westerhoff, "Variation of efficiency with free energy dissipation in theoretical models of oxidative phosphorylation and cytochrome oxidase". The chapter in the book  Integration of Mitochondrial Function (Lemasters, J.J., Hackenbrock, C.R., Thurman, R.G., Westerhoff, H.W., eds.), Plenum Press New York, 205-211 (1988). DOI: 10.1007/978-1-4899-2551-0_18 Citations 1.


D. Juretić, H.V. Westerhoff, "Variation of efficiency with free-energy dissipation in biological energy transduction". Biophysical Chemistry, 28, 21-34 (1987). DOI: 10.1016/0301-4622(87)80072-8 Citations 15.

R.W. Williams, A. Chang, D. Juretić, S. Loughran, "Secondary structure predictions and medium range interactions". Biochim. Biophys. Acta, 916, 200-204 (1987). DOI: 10.1016/0167-4838(87)90109-9 Citations 191.

D. Juretić, R.W. Williams, „Conformational preferences of the amino acids vary as a function of the solvent accessible surface-area of neighboring side-chains“. Biophys. J., 51, 235 (1987). Citations 2.


P. Riccio, L. Masotti, P. Cavatorta, A. De Santis,  D. Juretić, A. Bubba, I. Pasquali-Ronchetti, E. Quaqliariello, "Myelin basic protein ability to organize lipid bilayers: structural transition in bilayers of lisophosphatidylcholine micelles". Biochem. Biophys. Res. Commun., 134, 313-319 (1986). DOI: 10.1016/0006-291x(86)90564-4 Citations 32.

D. Kotnik-Karuza, D. Juretić , "Membrane potential measurements of granule-free bovine neutrophiles".  Studia Biophysica, 112, 105-113 (1986).

D. Juretić, F. Sokolić, "Membrane potential as a coupling agent for photophosphorylation by bacteriorhodopsin and ATP-ase containing artificial membrane".  Croatica Chemica Acta, 59, 599-615 (1986). Citations 2.


D. Juretić, D. Kotnik-Karuza, "Inhibition of cancer-promotor caused stimulation of human neutrophils by a proton ionophore".  Period. biol., 87, 23-26 (1985).

D. Juretić, D. Kotnik-Karuza, A. Frković, "The accumulation of 3,3'-dipentyloxacarbocyanine by human cord blood leukocytes". Period. biol., 87, 375-381 (1985).


D. Juretić, "Efficiency of free energy transfer and entropy production in photosynthetic systems".  J. theor. biol., 106, 315-327 (1984). DOI: 10.1016/0022-5193(84)90033-X Citations 5.

D. Juretić, M.O. Kunić, O. Nikolić, M. Mastrović, "The fluorescent and infrared spectroscopy of oil samples after exposure to sea surface".  Rocc. News,  13, 9-16 (1984).


D. Juretić, D. Kotnik-Karuza, "Calcium ionophore generation of membrane depolarization in human leukocytes".  Period. biol. 85, 137-138 (1983).

D. Juretić, "The thermodynamic and kinetic limits on the process of free energy storage by photosynthetic systems".  Croatica Chemica Acta 56, 383-387 (1983). Citations 3.


D. Juretić, C. Motolla, D. Romeo, "The K+ requirement for phorbol 12-myristate 13-acetate stimulated O2 consumption by neutrophils".  Period. biol., 83, 235-237  (1981).

D. Juretić, D. Kotnik-Karuza, "The fluorescent probe for the membrane potential of red blood cells".  Period. biol., 83, 156-158 (1981). Citations 1.

A. Alebić-Juretić, D. Juretić, "Cooperative effects in a kinetic model of a light-driven proton pump".  Period. biol., 83, 109-112 (1981). Citations 1.


D. Juretić, "Lecithin requirement for the sporulation process in Neurospora crassa".  J. Bacteriol., 130, 524-525 (1977). DOI: 10.1128/JB.130.1.524-525.1977 Citations 2.

D. Juretić, "The effect of phosphatidylcholine depletion on biochemical and physical properties of a Neurospora crassa membrane mutant".  Biochim. Biophys. Acta, 469, 137-150 (1977). DOI: 10.1016/0005-2736(77)90176-6 Citations 13.

D. Juretić, „Lecithin's role in maintaining the structure and function of eucaryotic cell membranes: A choline starvation study of the Neurosora crassa chol-1 mutant“. PhD thesis, The Pennsylvania State University, 1976, Dissertation Abstracts International, XXXVII, No. 11, 1977.


D. Juretić, "Cyanide-resistant respiration of a Neurospora crassa membrane mutant".  J. Bacteriol., 126, 542-543 (1976). DOI: 10.1128/jb.126.1.542-543.1976 Citations 9.


M.S. Tomaš,  A.A. Lukas,  M. Šunjić, D. Juretić,  "Coherent surface bremsstrahlung in low-energy-electron diffraction and reflection high-energy-electron diffraction". Phys. Rev. B, 9, 1489-1498 (1974). DOI: 10.1103/PhysRevB.9.1489 Citations 7.


D. Juretić, "A diagrammatic approach to the polaron ground-state energy". Phys. stat. sol. (b), 47, K49-51 (1971). DOI: 10.1002/pssb.2220470158