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Research outputs

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

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 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.

Graphs with maximum connectivity index [2003]

Caporossi, G; Gutman, Ivan ; Hansen, P; Pavlovic, L

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

Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug [2018]

Abraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Sanja ; Armaković, Stevan ; Rizwana, B. Fathima; A.S., Ben Geoffrey

On the characterization of novel biologically active steroids: Selection of lipophilicity models of newly synthesized steroidal derivatives by classical and non-parametric ranking approaches [2019]

Karadžić Banjac, Milica ; Kovačević, Strahinja ; Jevrić, Lidija ; Podunavac-Kuzmanović, Sanja ; Mandić, Anamarija

In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions [2024]

Saric, Sandra; Kostic, Tomislav L ; Lovic, Milan B; Aleksic, Ivana; Hristov, Dejan; Sarac, Miljana; Veselinovic, Aleksandar M

Filling in the blanks: In silico prediction of novel type III secreted effectors in the Pseudomonas syringae species complex [2026]

Rosić, Iva ; Sokić, Marina ; Ranković, Tamara ; Medić, Olja ; Berić, Tanja ; Stanković, Slaviša ; Dillon, Marcus M.; Nikolić, Ivan