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Research outputs

Variable neighborhood search for extremal graphs. 10 - comparison of irregularity indices for chemical trees [2005]

Gutman, Ivan ; Hansen, P.; Melot, H.

Novel virtual screening protocol based on the combined use of molecular modeling and electron-ion interaction potential techniques to design HIV-1 integrase inhibitors [2007]

Tintori, Cristina; Manetti, Fabrizio; Veljković, Nevena V. ; Perović, Vladimir R. ; Vercammen, Jo; Hayes, Sean; Massa, Silvio; Witvrouw, Myriam; Debyser, Zeger; Veljković, Veljko ;

Botta, Maurizio;

Influence of alkali metal cations upon the Kolbe-Schmitt reaction mechanism [2006]

Marković, Zoran ; Marković, Svetlana ; Begović, Nebojša

Detection of hydrogen atom adduct of spin-trap DEPMPO. The relevance for studies of biological systems [2005]

Mojović, Miloš ; Spasojević, Ivan ; Bačić, Goran

The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States [2019]

Stepanović, Stepan ; Zlatar, Matija ; Swart, Marcel; Gruden, Maja

Metabotropic glutamate receptor-mediated currents at the climbing fiber to Purkinje cell synapse [2005]

Anđus, Pavle ; Bajić, Aleksandar; Zhu, Lan; Strata, Piergiorgio

Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models [2017]

Mladenović M. ; Patsilinakos A.; Pirolli A.; Sabatino M.; Ragno, Rino

Expanding the Accessible Chemical Space of SIRT2 Inhibitors through Exploration of Binding Pocket Dynamics [2022]

Đoković, Nemanja ; Ružić, Dušan ; Rahnasto-Rilla, Mina; Srdić-Rajić, Tatjana ; Lahtela-Kakkonen, Maija; Nikolić, Katarina

Molecular Dynamic Simulations of Ocular Tablet Dissolution [2013]

Ru, Qian; Fadda, Hala M.; Li, Chung; Paul, Daniel; Khaw, Peng T.; Brocchini, Steve; Zloh, Mire

Essential Oils as Antimicrobials against Acinetobacter baumannii: Experimental and Literature Data to Definite Predictive Quantitative Composition-Activity Relationship Models Using Machine Learning Algorithms [2025]

Astolfi, Roberta; Oliva, Alessandra; Raffo, Antonio; Sapienza, Filippo; Ragno, Alessio; Proia, Eleonora; Mastroianni, Claudio M; Luceri, Cristina; Bozovic, Mijat; Mladenovic, Milan;

Papa, Rosanna; Bottoni, Patrizia; Mazzinelli, Elena; Nocca, Giuseppina; Ragno, Rino;