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Research outputs

Effects of conjugation metabolism on radical scavenging and transport properties of quercetin – In silico study   [2019]

Stepanić, Višnja; Matić, Sara; Amić, Ana; Lučić, Bono; Milenković, Dejan  ; Marković, Zoran  

Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast adenocarcinoma cells   [2019]

Kovačević, Strahinja  ; Karadžić Banjac, Milica  ; Vukić, Dajana  ; Vukić, Vladimir  ; Podunavac-Kuzmanović, Sanja  ; Jevrić, Lidija  ; Ajduković, Jovana  

Computational insights into the redox properties and electronic structures of [Tc=O]3+ complexes: Implications for 99mTc-radiopharmaceuticals   [2025]

Perić, Marko  ; Milanović, Zorana  ; Mirković, Marija  ; Radović, Magdalena  ; Vukadinović, Aleksandar  

In silico design of endothelin receptor antagonists using Monte Carlo-based QSAR modeling, molecular docking, and ADME profiling   [2025]

Marinkovic, Marija; Nikolic, Nemanja; Nikolic, Tamara; Bozanic, Borislav; Topalovic, Marija; Rancic, Andrija; Sajnovic, Stefan; Veselinovic, Aleksandar M  

Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells   [2009]

Nikolić, Katarina  ; Agbaba, Danica  

Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs   [2009]

Nikolić, Katarina  ; Agbaba, Danica  

Las Vegas algorithm in the prediction of intrinsic solubility of drug-like compounds   [2025]

Veselinovic, Aleksandar M  ; Toropova, Alla P; Toropov, Andrey A; Roncaglioni, Alessandra; Benfenati, Emilio

A theoretical study on ionization of sartans in aqueous media and on interactions with surfactant micelles   [2018]

Popović-Nikolić, Marija  ; Popović, Gordana  ; Grujić, Maja; Nikolić, Katarina  ; Agbaba, Danica  

Design and QSAR study of analogs of alpha-tocopherol with enhanced antiproliferative activity against human breast adenocarcinoma cells   [2008]

Nikolić, Katarina  

The 3D-QSAR study of 110 diverse, dual binding, acetylcholinesterase inhibitors based on alignment independent descriptors (GRIND-2). The effects of conformation on predictive power and interpretability of the models   [2012]

Vitorović-Todorović, Maja D.  ; Cvijetić, Ilija  ; Juranić, Ivan O.; Drakulić, Branko J.

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