Pretraga

Rezultati

Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase [2021]

Sheena Mary Y.; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja ; Yadav Rohitash; Celik Ismail; Razavi Razieh

From genotype to phenotype with biothermodynamics: Empirical formulas, biosynthesis reactions and thermodynamic properties of preproinsulin, proinsulin and insulin molecules [2023]

Popović, Marko ; Tadić, Vojin; Mihailović, Marija

Structure-Based Design of Selective Histone Deacetylase 6 Zinc Binding Groups [2019]

Alves, Avelar Leandro A.; Ružić, Dušan ; Đoković, Nemanja ; Kurz, Thomas; Nikolić, Katarina

Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene—a DFT study [2020]

Sheena Mary Y.; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja ; Narayana B.

Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study [2022]

Vitorović-Todorović, Maja D. ; Cvijetić, Ilija ; Zloh, Mire ; Perdih, Andrej

On the inhibition of cytochrome P450 3A4 by structurally diversified flavonoids [2022]

Mitrasinovic, Petar M

Biologically-active compounds from two members of the Asteraceae family: Tragopogon dubius Jacq. and Tussilago farfara L [2018]

Uysal S.; Ismail Senkardes; Adriano Mollica; Gokhan Zengin; Gizem Bulut; Ahmet Dogan; Glamočlija, Jasmina M. ; Soković, Marina D. ; Devina Lobine; Fawzi M Mahomoodally

SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model [2020]

Toropov, Andrey A.; Toropova, Alla P.; Veselinović, Aleksandar M. ; Leszczynska, Danuta; Leszczynski, Jerzy

Human Dopamine Transporter: The first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities [2018]

Đikić, Teodora ; Martí, Yasmina; Spyrakis, Francesca; Lau, Thorsten; Benedetti, Paolo; Davey, Gavin; Schloss, Patrick; Yelekci, Kemal

Supervised screening of Tecovirimat-like compounds as potential inhibitors for the monkeypox virus E8L protein [2023]

Mehmood, Aamir; Nawab, Sadia; Jia, Guihua; Kaushik, Aman Chandra; Wei, Dong-Qing