(2021-2022)  Razvoj i primjena poboljšanih kemoinformatičkih metoda u bioznanostima, HRV-NJEM projekt (DAAD), voditelj projekta s hrvatske strane

 (2017-)  Bioprospecting Jadranskog mora, Projekt financira Vlada Republike Hrvatske i Europska unija kroz Europski fond za regionalni razvoj – operativni program “Konkurentnost i kohezija” (KK.01.1.1.01) – Znanstveni centar izvrsnosti za bioprospecting mora – BioProCro dodijeljen Rozelindi Čoz-Rakovac, suradnik-istraživač na projektu. http://bioproadriatic.hr/people/

(2018-2021)  DOK-01-2018, Projekt razvoja karijera mladih istraživača - izobrazba novih doktora znanosti, voditelj projekta

Naslovni izvanredni profesor na Sveučilištu J. J. Strossmayera u Osijeku, Osijek, Hrvatska (od 26. Svibnja 2022.)

Radovi u časopisima

Znanstveni i pregledni radovi

• Daghighi, A., Casanola-Martin, G., Timmerman, T., Milenković, D., Lučić, B. & Rasulev, B. (2022) In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach. Toxics, 10 (12), 746, 14 doi:10.3390/toxics10120746.

  doiwww.mdpi.comfulir.irb.hr

• Bešlo, D., Došlić, G., Agić, D., Rastija, V., Šperanda, M., Gantner, V. & Lučić, B. (2022) Polyphenols in ruminant nutrition and their effects on reproduction. Antioxidants, 11 (5), 970, 22 doi:10.3390/antiox11050970.

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• Cichońska, A., Ravikumar, B., Allaway, R., Wan, F., Park, S., Isayev, O., Li, S., Mason, M., Lamb, A., Tanoli, Z., Jeon, M., Kim, S., Popova, M., Capuzzi, S., Zeng, J., Dang, K., Koytiger, G., Kang, J., Wells, C., Willson, T., The IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium, Oršolić, D., Lučić, B., Stepanić, V., Šmuc, T., Oprea, T., Schlessinger, A., Drewry, D., Stolovitzky, G., Wennerberg, K., Guinney, J. & Aittokallio, T. (2021) Crowdsourced mapping of unexplored target space of kinase inhibitors. Nature communications, 12, 3307, 18 doi:10.1038/s41467-021-23165-1.

  doiwww.nature.comdoi.orgfulir.irb.hr

• Lovrić, M., Pavlović, K., Žuvela, P., Spataru, A., Lučić, B., Kern, R. & Wong, M. (2021) Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?. Journal of chemometrics, 35 (7-8), e3349, 16 doi:10.1002/cem.3349.

  doianalyticalsciencejournals.onlinelibrary.wiley.comdoi.orgfulir.irb.hr

• Lovrić, M., Malev, O., Klobučar, G., Kern, R., Liu, J. & Lučić, B. (2021) Predictive Capability of QSAR Models Based on the CompTox Zebrafish Embryo Assays: An Imbalanced Classification Problem. Molecules, 26 (6), 1617, 15 doi:10.3390/molecules26061617.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Bešlo, D., Bešlo, K., Agić, D., Vikić- Topić, D. & Lučić, B. (2020) Variations of Total Phenolic Content in Honey Samples Caused by Different Calibration Lines. Croatica chemica acta, 93 (4), 367-375 doi:10.5562/cca3805.

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• Lučić, B., Batista, J., Bojović, V., Lovrić, M., Sović Kržić, A., Bešlo, D., Nadramija, D. & Vikić-Topić, D. (2019) Estimation of random accuracy and its use in validation of predictive quality of classification models within predictive challenges. Croatica chemica acta, 92 (3), 379-391 doi:10.5562/cca3551.

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• Stepanić, V., Matić, S., Amić, A., Lučić, B., Milenković , D. & Marković, Z. (2019) Effects of conjugation metabolism on radical scavenging and transport properties of quercetin – In silico study. Journal of molecular graphics & modelling, 86, 278-285 doi:10.1016/j.jmgm.2018.10.023.

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• Amić, A., Marković, Z., Dimitrić Marković, J., Milenković, D. & Lučić, B. (2019) The role of guaiacyl moiety in free radical scavenging by 3, 5-dihydroxy-4-methoxybenzyl alcohol: Thermodynamics of 3H+/3e- mechanisms. Molecular physics, 117 (2), 207-217 doi:10.1080/00268976.2018.1506174.

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• Matić, S., Jadrijević-Mladar Takač, M., Barbarić, M., Lučić, B., Gall Trošelj, K. & Stepanić, V. (2018) The Influence of In Vivo Metabolic Modifications on ADMET Properties of Green Tea Catechins-In Silico Analysis. Journal of pharmaceutical sciences, 107 (11), 2957-2964 doi:10.1016/j.xphs.2018.07.026.

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• Amić, A., Lučić, B., Stepanić, V., Marković, Z., Marković, S., Dimitrić Marković, J. & Amić, D. (2017) Free radical scavenging potency of quercetin catecholic colonic metabolites: thermodynamics of 2H+/2e- processes. Food chemistry, 218, 144-151 doi:10.1016/j.foodchem.2016.09.018.

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• Amić, A., Lučić, B., Marković, Z. & Amić, D. (2016) Carboxyl Group as a Radical Scavenging Moiety: Thermodynamics of 2H+/2e– Processes of Phloretic Acid. Croatica chemica acta, 89 (4), 517-525 doi:10.5562/cca3024.

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• Batista, J., Vikić-Topić, D. & Lučić, B. (2016) The difference between the accuracy of real and the corresponding random model is a useful parameter for validation of two-state classification model quality. Croatica chemica acta, 89 (4), 527-534 doi:10.5562/cca3117.

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• Amić, A., Marković, Z., Dimitrić Marković, J., Jeremić, S., Lučić, B. & Amić, D. (2016) Free radical scavenging and COX-2 inhibition by simple colon metabolites of polyphenols: A theoretical approach. Computational biology and chemistry, 65, 45-53 doi:10.1016/j.compbiolchem.2016.09.013.

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• Amić, A., Marković, Z., Dimitrić Marković, J., Lučić, B., Stepanić, V. & Amić, D. (2016) The 2H+/2e− free radical scavenging mechanisms of uric acid: thermodynamics of N-H bond cleavage. Computational and Theoretical Chemistry, 1077, 2-10 doi:10.1016/j.comptc.2015.09.003.

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• Filipović, M., Marković, Z., Đorović, J., Dimitrić Marković, J., Lučić, B. & Amić, D. (2015) QSAR of the free radical scavenging potency of selected hydroxybenzoic acids and simple phenolics. Comptes rendus. Chimie, 18 (5), 492-498 doi:10.1016/j.crci.2014.09.001.

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• Amić, D., Lučić, B., Amić, A. & Marković, Z. (2014) On the Novel ETE2 and BDE2 Molecular Descriptors of Flavonoid Free Radical Scavenging Potency. International journal of chemical modeling, 6 (2-3), 287-299.

• Dimitrić Marković, J., Amić, D., Lučić, B. & Marković, Z. (2014) Oxidation of kaempferol and its iron(III) complex by DPPH radical: spectroscopic and theoretical study. Monatshefte für Chemie, 145 (4), 557-563 doi:10.1007/s00706-013-1135-z.

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• Lučić, B., Stepanić, V., Plavšić, D., Amić, A. & Amić, D. (2014) Correlation between 13C NMR chemical shifts and antiradical activity of flavonoids. Monatshefte für Chemie, 145 (3), 457-463 doi:10.1007/s00706-013-1130-4.

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• Amić, A., Marković, Z., Dimitrić Marković, J., Stepanić, V., Lučić, B. & Amić, D. (2014) Towards an improved prediction of the free radical scavenging potency of flavonoids: The significance of double PCET mechanisms. Food chemistry, 152, 578-585 doi:10.1016/j.foodchem.2013.12.025.

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• Lučić, B., Sović, I., Bešlo, D., Plavšić, D., Vikić-Topić, D. & Trinajstić, N. (2013) On the Novel Balaban-like and Balaban-Detour-like Molecular Descriptors. International journal of chemical modeling, 5 (2/3), 277-294.

• Stepanić, V., Gall Trošelj, K., Lučić, B., Marković, Z. & Amić, D. (2013) Bond dissociation free energy as a general parameter for flavonoid radical scavenging activity. Food chemistry, 141 (2), 1562-1570 doi:10.1016/j.foodchem.2013.03.072.

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• Amić, D., Stepanić, V., Lučić, B., Marković, Z. & Dimitrić Marković, J. (2013) PM6 study of free radical scavenging mechanisms of flavonoids: why does O–H bond dissociation enthalpy effectively represent free radical scavenging activity?. Journal of molecular modeling, 19 (6), 2593-2603 doi:10.1007/s00894-013-1800-5.

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• Marković, Z., Milenković, D., Đorović, J., Dimitrić Marković, J., Lučić, B. & Amić, D. (2013) A DFT and PM6 study of free radical scavenging activity of ellagic acid. Monatshefte für Chemie, 144 (6), 803-812 doi:10.1007/s00706-013-0949-z.

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• Tanabe, K., Kurita, T., Nishida, K., Lučić, B., Amić, D. & Suzuki, T. (2013) Improvement of carcinogenicity prediction performances based on sensitivity analysis in variable selection of SVM models. SAR and QSAR in environmental research, 24 (7), 565-580.

• Dimitrić Marković, J., Marković, Z., Krstić, J., Milenković, D., Lučić, B. & Amić, D. (2013) Interpretation of the IR and Raman spectra of morin by density functional theory and comparative analysis. Vibrational spectroscopy, 64, 1-9 doi:10.1016/j.vibspec.2012.10.006.

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• Lučić, B., Sović, I., Batista, J., Skala, K., Plavšić, D., Vikić-Topić, D., Bešlo, D., Nikolić, S. & Trinajstić, N. (2013) The Sum-Connectivity Index - An Additive Variant of the Randić Connectivity Index. Current computer-aided drug design, 9 (2), 184-194 doi:10.2174/1573409911309020004.

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• Marković, Z., Milenković, D., Đorović, J., Dimitrić Marković, J., Stepanić, V., Lučić, B. & Amić, D. (2012) Free radical scavenging activity of morin 2’-O− phenoxide anion. Food chemistry, 135 (3), 2070-2077 doi:10.1016/j.foodchem.2012.05.119.

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• Marković, Z., Milenković, D., Đorović, J., Dimitrić Marković, J., Stepanić, V., Lučić, B. & Amić, D. (2012) PM6 and DFT study of free radical scavenging activity of morin. Food chemistry, 134 (4), 1754-1760 doi:10.1016/j.foodchem.2012.03.124.

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• Juretić, D., Vukičević, D., Petrov, D., Novković, M., Bojović, V., Lučić, B., Ilić, N. & Tossi, A. (2011) Knowledge-based computational methods for identifying or designing novel, non-homologous antimicrobial peptides. European biophysics journal, 40 (4), 371-385 doi:10.1007/s00249-011-0674-7.

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• Vukičević, D., Trinajstić, N., Nikolić, S., Lučić, B. & Zhou, B. (2010) Master connectivity index and master connectivity polynomial. Current computer-aided drug design, 6 (4), 235-239 doi:10.2174/1573409911006040235.

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• Tanabe, K., Lučić, B., Amić, D., Kurita, T., Kaihara, M., Onodera, N. & Suzuki, T. (2010) Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling. Molecular diversity, 14 (4), 789-802 doi:10.1007/s11030-010-9232-y.

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• Amić, D. & Lučić, B. (2010) Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids. Bioorganic & medicinal chemistry, 18 (1), 28-35 doi:10.1016/j.bmc.2009.11.015.

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• Lučić, B., Trinajstić, N. & Zhou, B. (2009) Comparison between the sum-connectivity index and product-connectivity index for benzenoid hydrocarbons. Chemical physics letters, 475 (1-3), 146-148 doi:10.1016/j.cplett.2009.05.022.

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• Amić, D., Lučić, B., Kovačević, G. & Trinajstić, N. (2009) Bond dissociation enthalpies calculated by the PM3 method confirm activity cliffs in radical scavenging of flavonoids. Molecular diversity, 13 (1), 27-36 doi:10.1007/s11030-008-9095-7.

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• Lučić, B., Nikolić, S. & Trinajstić, N. (2008) Távolságfüggő molekuláris deszkriptorok. Magyar kémiai folyóirat, Kémiai közlemények, 114 (4), 171-175.
• Lučić, B., Nikolić, S. & Trinajstić, N. (2008) Distance-Related Molecular Descriptors. Internet electronic journal of molecular design, 7, 195-206.
• Janežič, D., Lučić, B., Miličević, A., Nikolić, S., Trinajstić, N. & Vukičević, D. (2007) Hosoya Matrices as the Numerical Realization of Graphical Matrices and Derived Structural Descriptors. Croatica Chemica Acta, 80 (2), 271-276.
• Amić, D., Davidović-Amić, D., Bešlo, D., Rastija, V., Lučić, B. & Trinajstić, N. (2007) SAR and QSAR of the Antioxidant Activity of Flavonoids. Current Medicinal Chemistry, 14 (7), 827-845.
• Janežič, D., Lučić, B., Nikolić, S., Miličević, A. & Trinajstić, N. (2006) Boiling Points of Alcohols - A Comparative QSPR Study. Internet Electronic Journal of Molecular Design, 5 (4), 192-200.
• Supek, F., Šmuc, T. & Lučić, B. (2005) A prototype structure-activity relationship model based on National Cancer Institute cell line screening data. Periodicum Biologorum, 107 (4), 451-455.
• Piližota, T., Lučić, B. & Trinajstić, N. (2004) Use of variable selection in modeling the secondary structural content of proteins from their composition of amino acid residues. Journal of Chemical Information and Computer Sciences, 44 (1), 113-121.
• Lučić, B., Nadramija, D., Bašic, I. & Trinajstić, N. (2003) Toward generating simpler QSAR models: Nonlinear multivariate regression versus several neural network ensembles and some related methods. Journal of chemical information and computer sciences, 43 (4), 1094-1102.
• Lučić, B., Miličević, A., Nikolić, S. & Trinajstić, N. (2003) On variable Wiener index. Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 42 (6), 1279-1282.

• Amić, D., Basak S.C., Lučić, B., Nikolić, S. & Trinajstić, N. (2002) Structure-water solubility modeling of aliphatic alcohols using the weighted path numbers. SAR and QSAR in environmental research, 13 (2), 281-295 doi:10.1080/10629360290002776.

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• Lučić, B., Bašic, I., Nadramija, D., Miličević, A., Trinajstić, N., Suzuki, T., Petrukhin, R., Karelson, M. & Katritzky, Alan, R. (2002) Correlation of liquid viscosity with molecular structure for organic compounds using different variable selection methods. ARKIVOC, (4), 45-59 doi:10.3998/ark.5550190.0003.406.

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• Lučić, B., Miličević, A., Nikolić, S. & Trinajstić, N. (2002) Harary index - Twelve years later. Croatica chemica acta, 75 (4), 847-868. (https://www.bib.irb.hr/81657).

• Amić, D., Lučić, B., Nikolić, S. & Trinajstić, N. (2001) Predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols: a QSAR approach based on the weighted path numbers. Croatica chemica acta, 74 (2), 237-250.

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• Lučić, B., Istvan, L., Nikolić, S. & Nenad, T. (2001) Distance-related indexes in the quantitative structure-property relationship modeling. Journal of chemical information and computer sciences, 41, 527-535.
• Lučić, B., Amić, D. & Trinajstić, N. (2000) Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets. Journal of Chemical Information and Computer Sciences, 40 (2), 403-413.
• Katritzky, A., Chen, K., Wang, Y., Karelson, M., Lučić, B., Trinajstić, N., Suzuki, T. & Schüürmann, G. (2000) Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship. Journal of physical organic chemistry, 13 (1), 80-86.
• Basak, S., Gute, B., Lučić, B., Nikolić, S. & Trinajstić, N. (2000) A comparative QSAR study of benzamidines complement-inhibitory activity and benzene derivatives acute toxicity. Computers and chemistry, 24 (2), 181-191.
• Amić, D., Davidović-Amić, D., Bešlo, D., Lučić, B. & Trinajstić, N. (1999) Prediction of pK Values, half-lives and electronic spectra of flavylium salts from molecular structure. Journal of chemical information and computer sciences, 39 (6), 967-973.
• Lučić, B., Trinajstić, N., Sild, S., Karelson, M. & Katritzky, A. (1999) A new efficient approach for variable selection based on multiregression : prediction of gas chromatographic retention time and response factors. Journal of chemical information and computer sciences, 39 (3), 610-621.

• Lučić, B. & Trinajstić, N. (1999) Multivariate regression outperforms several robust architectures of neural networks in QSAR modeling. Journal of chemical information and computer sciences, 39 (1), 121-132 doi:10.1021/ci980090f.

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• Juretić, D., Zucić, D., Lučić, B. & Trinajstić, N. (1998) Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins. Computers & chemistry, 22 (4), 279-294.
• Amić, D., Bešlo, D., Lučić, B., Nikolić, S. & Trinajstić, N. (1998) The vertex-connectivity index revisited. Journal of chemical information and computer sciences, 38 (5), 819-822.
• Amić, D., Davidović-Amić, D., Bešlo, D., Lučić, B. & Trinajstić, N. (1998) QSAR of flavylium salts as inhibitors of xanthine oxidase. Journal of chemical information and computer sciences, 38 (5), 815-818.
• Amić, D., Davidović-Amić, D., Bešlo, D., Lučić, B. & Trinajstić, N. (1997) A simple QSAR model for trypsin aminopeptidase inhibitory flavonoids. Croatica chemica acta, 70 (4), 905-911.

• Trinajstić, N., Nikolić, S., Lučić, B., Amić, D. & Mihalić, Z. (1997) The detour matrix in chemistry. Journal of chemical information and computer sciences, 37 (4), 631-638 doi:10.1021/ci960149n.

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• Amić, D., Davidović-Amić, D., Bešlo, D., Trinajstić, N. & Lučić, B. (1997) The use of the ordered orthogonalized multivariate linear regression in a structure-activity study of coumarin and flavonoid derivatives as inhibitors of aldose reductase. Journal of chemical information and computer sciences, 37 (3), 581-586 doi:10.1021/ci960158w.

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• Lučić, B. & Trinajstić, N. (1997) New Development in QSPR/QSAR Modeling Based on Topological Indices. SAR and QSAR in environmental research, 5, 45-62.

• Klein, D., Randić, M., Babić, D., Lučić, B., Nikolić, S. & Trinajstić, N. (1997) Hierarchical Orthogonalization of Descriptors. International journal of quantum chemistry, 63 (1), 215-222 doi:10.1002/(SICI)1097-461X(1997)63:13.0.CO ; 2-.

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• Trinajstić, N., Nikolić, S., Lučić, B. & Amić, D. (1996) On QSAR Modeling. Acta pharmaceutica, 46 (4), 249-263.

• Amić, D., Davidović-Amić, D., Bešlo, D., Lučić, B. & Trinajstić, N. (1995) Structure-activity correlation of flavone derivatives for inhibition of cAMP phosphodiesterase. Journal of chemical information and computer sciences, 35 (6), 1034-1038 doi:10.1021/ci00028a013.

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• Juretić, D., Lučić, B. & Trinajstić, N. (1995) Secondary Structure Prediction Quality for Naturally Occurring Amino Acids in Soluble Proteins. Journal of molecular structure. Theochem, 338, 43-50 doi:10.1016/0166-1280(94)04047-V.

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• Lučić, B., Nikolić, S., Trinajstić, N. & Juretić, D. (1995) The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors. Journal of chemical information and computer sciences, 35, 532-538 doi:10.1021/ci00025a022.

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• Lučić, B., Nikolić, S., Trinajstić, N., Juretić, D. & Jurić, A. (1995) Novel QSPR Approach to Physicochemical Properties of the Alpha-Amino-Acids. Croatica Chemica Acta, 68 (3), 435-450.

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• Lučić, B., Nikolić, S., Trinajstić, N., Jurić, A. & Mihalić, Z. (1995) A Structure-Property Study of the Solubility of Aliphatic-Alcohols in Water. Croatica chemica acta, 68 (3), 417-434.

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• Juretić, D., Trinajstić, N. & Lučić, B. (1993) Protein Secondary Structure Conformations and Associated Hydrophobicity Scale. Journal of mathematical chemistry, 14 (1), 35-45 doi:10.1007/BF01164453.

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• Juretić, D., Lučić, B. & Trinajstić, N. (1993) Predicting Membrane Protein Secondary Structure: Preference Functions Method for Finding Optimal Conformational Parameters. Croatica Chemica Acta, 66 (2), 201-208.

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