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Research outputs

Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study   [2022]

Vitorović-Todorović, Maja D.  ; Cvijetić, Ilija  ; Zloh, Mire  ; Perdih, Andrej

Predicting nucleosome positions in yeast: Using the absolute frequency   [2012]

Zhang Z.; Zhang, Yusen; Gutman I.  

From genotype to phenotype with biothermodynamics: Empirical formulas, biosynthesis reactions and thermodynamic properties of preproinsulin, proinsulin and insulin molecules   [2023]

Popović, Marko  ; Tadić, Vojin; Mihailović, Marija  

In silico evaluation of pharmacokinetic parameters, delivery, distribution and anticoagulative effects of new 4,7-dihydroxycoumarin derivative   [2023]

Milanović, Žiko  ; Antonijević, Marko  ; Avdović, Edina  ; Simić, Vladimir  ; Milošević, Miljan  ; Dolićanin, Zana  ; Kojić, Miloš; Marković, Zoran  

On the recognition of Yersinia protein tyrosine phosphatase by carboxylic acid derivatives   [2022]

Mitrasinovic, Petar M

Human Dopamine Transporter: The first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities   [2018]

Đikić, Teodora ; Martí, Yasmina; Spyrakis, Francesca; Lau, Thorsten; Benedetti, Paolo; Davey, Gavin; Schloss, Patrick; Yelekci, Kemal

Supervised screening of Tecovirimat-like compounds as potential inhibitors for the monkeypox virus E8L protein   [2023]

Mehmood, Aamir; Nawab, Sadia; Jia, Guihua; Kaushik, Aman Chandra; Wei, Dong-Qing

Quantitative Structure-Activity Relationships of xanthen-3-one and xanthen-1,8-dione derivatives and design of new compounds with enhanced antiproliferative activity on HeLa cervical cancer cells   [2021]

Zukić, Selma; Oljačić, Slavica  ; Nikolić, Katarina  ; Veljović, Elma; Špirtović- Halilović, Selma; Osmanović, Amar; Završnik, Davorka

In silico studies and the design of novel agents for the treatment of systemic tuberculosis (Article)   [2019]

Ničković, Vanja P.; Vujnović-Živković, Zorica N.  ; Trajković, Rada; Krtinić, Dane  ; Ristić, Lidija ; Radović, Milan  ; Ćirić, Zorica ; Sokolović, Dušan T.  ; Veselinović, Aleksandar M.  

Binding of the commonly used antioxidants (quercetin, resveratrol, and dihydrolipoic acid) to major circulating proteins – spectroscopic and in silico docking and molecular dynamic simulation studies   [2025]

Šunderić, Miloš  ; Šukalović, Vladimir  ; Penezić, Ana  ; Nikolić, Milan  ; Nedić, Olgica  ; Minić, Simeon  ; Četić, Danilo  ; Gligorijević, Nikola  

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