Browsing by Subject Molecular docking
Showing results 1 to 12 of 12
| Issue Date | Title | Author(s) |
|---|---|---|
| Feb-2020 | Comparative antiradical activity and molecular Docking/Dynamics analysis of octopamine and norepinephrine: the role of OH groups | Dimić, Dušan ; Milanović, Žiko; Jovanović, Goran; Sretenović, Dragana; Milenković, Dejan; Marković, Zoran; Dimitrić Marković, Jasmina |
| 1-Jan-2020 | The interaction of protonated octopamine and norepinephrine with β1-adrenergic receptor: Molecular docking and dynamical simulation | Milanović, Žiko; Dimić, Dušan ; Dimitrić Marković, Jasmina ; Stanojević-Pirković, Marijana; Avdović, Edina; Marković, Zoran |
| 1-Jan-2018 | Reactivity of the coumarine derivative towards cartilage proteins: combined NBO, QTAIM, and molecular docking study | Milenković, Dejan; Avdović, Edina H.; Dimić, Dušan ; Bajin, Zoran; Ristić, Branko; Vuković, Nenad; Trifunović, Srećko R.; Marković, Zoran S. |
| 5-Jan-2019 | Spectroscopic and theoretical investigation of the potential anti-tumor and anti-microbial agent, 3-(1-((2-hydroxyphenyl)amino)ethylidene)chroman-2,4-dione | Avdović, Edina H; Dimić, Dušan ; Dimitrić Marković, Jamina M; Vuković, Nenad; Radulović, Milanka Đ; Živanović, Marko N; Filipović, Nenad D; Đorović, Jelena R; Trifunović, Srećko R; Marković, Zoran S |
| 1-Sep-2022 | Spectroscopic, molecular docking, and ecotoxicology analyses of the monomer and dimers of 3-aminocyclohexa-2,6-diene-1-sulfonic acid – a theoretical approach | Ramarajan, Devarajan; Đorović Jovanović, Jelena; Marković, Zoran; Dimić, Dušan ; Sudha, Shanmugam |
| 1-Jan-2019 | Structural characterization of kaempferol: A spectroscopic and computational study | Milenković, Dejan; Dimitrić Marković, Jasmina ; Dimić, Dušan ; Jeremić, Svetlana; Amić, Dragan; Stanojević Pirković, Marijana; Marković, Zoran S. |
| 5-Nov-2017 | Structural, spectral and NBO analysis of 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dione | Avdović, Edina H.; Milenković, Dejan; Dimitrić Marković, Jasmina ; Vuković, Nenad; Trifunović, Srećko R.; Marković, Zoran |
| 15-Feb-2023 | Structural, spectroscopic, quantum chemical, and molecular docking study towards cartilage protein of (3E,3′E)-3,3′-(1,4-phenylenebis(azanediyl))bis(cyclohex-2-en-1-one) | Jeeva, P.; Sudha, S.; Rakić, Aleksandra ; Dimić, Dušan ; Ramarajan, D.; Barathi, D. |
| 5-Feb-2021 | Synthesis and comprehensive spectroscopic (X-ray, NMR, FTIR, UV–Vis), quantum chemical and molecular docking investigation of 3-acetyl-4‑hydroxy‑2-oxo-2H-chromen-7-yl acetate | Milanović, Žiko B.; Dimić, Dušan ; Avdović, Edina H.; Milenković, Dejan A.; Dimitrić Marković, Jasmina ; Klisurić, Olivera R.; Trifunović, Srećko R.; Marković, Zoran S. |
| 15-Apr-2018 | Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione | Avdović, Edina H; Milenković, Dejan; Dimitrić Marković, Jasmina ; Đorović, Jelena; Vuković, Nenad; Vukić, Milena D; Jevtić, Verica V; Trifunović, Srećko R; Potočňák, Ivan; Marković, Zoran |
| 1-Jan-2021 | Synthesis, structural characterization, biological activity and molecular docking study of 4,7-dihydroxycoumarinmodified by aminophenol derivatives | Milanovic, Žiko B.; Markovic, Zoran S.; Dimić, Dušan ; Klisuric, Olivera R.; Radojevic, Ivana D.; Šeklic, Dragana S.; Živanovic, Marko N.; Dimitrić Marković, Jasmina ; Radulovic, Milanka; Avdovic, Edina H. |
| 5-Jun-2020 | Vibrational and Hirshfeld surface analyses, quantum chemical calculations, and molecular docking studies of coumarin derivative 3-(1-m-toluidinoethylidene)-chromane-2,4-dione and its corresponding palladium(II) complex | Milenković, Dejan; Avdović, Edina; Dimić, Dušan ; Sudha, S.; Ramarajan, D.; Milanović, Žiko; Trifunović, Srećko; Marković, Zoran S. |