Study of electron transfer mechanism of gallic acid. - Jelena R. Dorovic; Dejan A. Milenkovic 001; Zoran Markovic (BIBE, 2015)

DFT investigation of the reaction of cyanidin with hydroxyl radical. - Dejan A. Milenkovic 001; Jasmina M. Dimitric Markovic; Zoran Markovic (BIBE, 2015)

Antioxidative Capacity of Evernic Acid and Its Interactions with TDP1. - Jelena R. Dorovic; Svetlana R. Jeremic; Nedeljko Manojlovic; Dejan Milenkovic 001; Zoran Markovic (BIBE, 2019)

Comparative antiradical activity and molecular Docking/Dynamics analysis of octopamine and norepinephrine: the role of OH groups. - Dusan Dimic; Ziko B. Milanovic; Goran N. Jovanovic; Dragana Sretenovic; Dejan Milenkovic 001; Zoran Markovic; Jasmina M. Dimitric Markovic (Comput. Biol. Chem., 2020)

Molecular docking study of coumarin-hydroxybenzohydrazide hybrid as an inhibitor of carbonic anhydrases IX and XII. - Marko Antonijevic; Dusica Simijonovic; Dejan Milenkovic 001; Zoran Markovic (BIBE, 2021)

Toxicity, structural analysis, and molecular docking studies of selected isonicotinohydrazide analogs. - Aleksandra Rakic; Dusan Dimic; Jasmina M. Dimitric Markovic; Dejan Milenkovic 001; Zoran Markovic (BIBE, 2021)

Numerical modelling of WNT/β-catenin signal pathway in characterization of EMT of colorectal carcinoma cell lines after treatment with Pt(IV) complexes. - Dragana Seklic; Tijana Dukic; Dejan Milenkovic 001; Milena Jovanovic; Marko N. Zivanovic; Zoran Markovic; Nenad Filipovic (Comput. Methods Programs Biomed., 2022)

Design, in Silico Evaluation, and Toxicological Assessment of $N$-Protocatechoyl Hydrazone Derivatives as Potential EGFR Kinase Inhibitors. - Dejan Milenkovic 001; Marko Antonijevic; Edina H. Avdovic; Dusica Simijonovic; Zoran Markovic (BIBE, 2024)

Computational Dataset for Polymer-Pharmaceutical Interactions: MD/MM-PBSA and DFT Resources for Molecularly Imprinted Polymer (MIP) Design. - David Visentin; Mario Lovric; Dejan Milenkovic 001; Robert Vianello; Zeljka Maglica; Kristina Tolic Cop; Dragana Mutavdzic Pavlovic (Data, 2025)