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Research outputs

A computational framework for the design and development of ERK2 and multi-target ERK2/HDAC inhibitors   [2025]

Cebzan, Alen; Ružić, Dušan  ; Đoković, Nemanja  ; Stanković, Branislav  ; Nikolić, Katarina  

Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition—In silico approach   [2019]

Ćirić, Zdravković Snezana  ; Pavlović, Milan  ; Apostlović, Svetlana  ; Koraćević, Goran  ; Šalinger, Martinović Sonja  ; Stanojević, Dragana; Sokolović, Dušan  ; Veselinović, Aleksandar  

In vitro antitumor activity, ADME-Tox and 3D-QSAR of synthesized and selected natural styryl lactones   [2019]

Vukić, Vladimir  ; Lončar, Davor; Vukić, Dajana  ; Jevrić, Lidija  ; Benedeković, Goran  ; Francuz, Jovana  ; Kojić, Vesna  ; Karadžić Banjac, Milica  ; Popsavin, Velimir 

QSAR modeling of the antimicrobial activity of peptides as a mathematical function of a sequence of amino acids   [2015]

Toropova, Mariya A.; Veselinović, Aleksandar  ; Veselinović, Jovana ; Stojanović, Dušica ; Toropov, Andrey A.

Integration of 3D-QSAR, molecular docking, and machine learning techniques for rational design of nicotinamide-based SIRT2 inhibitors   [2024]

Ilić, Aleksandra  ; Đoković, Nemanja  ; Đikić, Teodora ; Nikolić, Katarina  

Atom counting method for determining elemental composition of viruses and its applications in biothermodynamics and environmental science   [2022]

Popović, Marko  

DistAA: Database of amino acid distances in proteins and web application for statistical review of distances   [2019]

Maljković, Mirjana  

Design and evaluation of dual c-Met/β-tubulin inhibitors for triple-negative breast cancer: An In Silico approach   [2026]

Mihajlovic, Milica; Conic, Irena  ; Cvetanovic, Ana S  ; Petkovic, Ivan Z  ; Dinic, Ljubomir A  ; Dinic, Vesna D; Veselinovic, Aleksandar M  

The reactivity of neurotransmitters and their metabolites towards various nitrogen-centered radicals: Experimental, theoretical, and biotoxicity evaluation   [2021]

Lončar, Aleksandar; Negrojević, Luka; Dimitrić-Marković, Jasmina  ; Dimić, Dušan  

In silico development of anesthetics based on barbiturate and thiobarbiturate inhibition of GABAA   [2020]

Stošić, Biljana  ; Janković, Radmilo  ; Stošić, Marija  ; Marković, Danica; Stanković, Danijela; Sokolović, Dušan  ; Veselinović, Aleksandar M.  

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