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Research outputs

Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase [2021]

Sheena Mary Y.; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja ; Yadav Rohitash; Celik Ismail; Razavi Razieh

SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model [2020]

Toropov, Andrey A.; Toropova, Alla P.; Veselinović, Aleksandar M. ; Leszczynska, Danuta; Leszczynski, Jerzy

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

Biologically-active compounds from two members of the Asteraceae family: Tragopogon dubius Jacq. and Tussilago farfara L [2018]

Uysal S.; Ismail Senkardes; Adriano Mollica; Gokhan Zengin; Gizem Bulut; Ahmet Dogan; Glamočlija, Jasmina M. ; Soković, Marina D. ; Devina Lobine; Fawzi M Mahomoodally

Design and development of novel therapeutics for coronary heart disease treatment based on cholesteryl ester transfer protein inhibition - in silico approach [2020]

Kostić, Tomislav ; Deljanin Ilić, Marina ; Perišić, Zoran ; Milić, Dragan ; Đorđević, Miodrag ; Golubović, Mlađan ; Koraćević, Goran ; Šalinger, Martinović Sonja ; Ćirić, Zdravković Snežana ; Živić, Saša;

Lazarević, Milan ; Stanojević, Dragana; Dakić, Sonja ; Lilić, Jelena; Veselinović, Aleksandar ;

Design and development of novel therapeutics for brucellosis treatment based on carbonic anhydrase inhibition [2019]

Ničković VP; Mitić NR; Krdžić BD; Krdžić JD; Nikolić GR; Vasić MZ; Ranković G; Babović P; Sokolović, Dušan T. ; Veselinović AM

Structure-Based Design of Selective Histone Deacetylase 6 Zinc Binding Groups [2019]

Alves, Avelar Leandro A.; Ružić, Dušan ; Đoković, Nemanja ; Kurz, Thomas; Nikolić, Katarina

Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene—a DFT study [2020]

Sheena Mary Y.; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja ; Narayana B.

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

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

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.