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Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor.
Archana VP, Armaković SJ, Armaković S, Celik I, Bhagyasree JB, Dinesh Babu KV, Rudrapal M, Divya IS, Pillai RR. Archana VP, et al. Among authors: armakovic sj. J Mol Struct. 2023 Jun 5;1281:135110. doi: 10.1016/j.molstruc.2023.135110. Epub 2023 Feb 9. J Mol Struct. 2023. PMID: 36785704 Free PMC article.
Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase.
Sheena Mary Y, Shyma Mary Y, Armaković S, Armaković SJ, Yadav R, Celik I, Razavi R. Sheena Mary Y, et al. Among authors: armakovic sj. J Biomol Struct Dyn. 2022;40(21):10952-10961. doi: 10.1080/07391102.2021.1953602. Epub 2021 Jul 19. J Biomol Struct Dyn. 2022. PMID: 34278966
Specificities of boron disubstituted sumanenes.
Armaković S, Armaković SJ, Šetrajčić JP, Džambas LD. Armaković S, et al. Among authors: armakovic sj. J Mol Model. 2013 Mar;19(3):1153-66. doi: 10.1007/s00894-012-1654-2. Epub 2012 Nov 13. J Mol Model. 2013. PMID: 23149762
31 results