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Дата публикацииНазваниеАвторы
2020Magnetic properties of clusters of supracolloidal magnetic polymers with central attractionNovak, E. V.; Zverev, V. S.; Pyanzina, E. S.; Sánchez, P. A.; Kantorovich, S. S.
2013Mesoscale structures at complex fluid-fluid interfaces: A novel lattice Boltzmann/molecular dynamics couplingSega, M.; Sbragaglia, M.; Kantorovich, S. S.; Ivanov, A. O.
2013Microstructure of bidisperse ferrofluids in a thin layerMinina, E. S.; Muratova, A. B.; Cerdá, J. J.; Kantorovich, S. S.
2023Modeling the UO2 Reduction ProcessGalashev, A. Y.; Abramova, K. A.; Vorob’ev, A. S.; Rakhmanova, O. R.; Zaikov, Yu. P.
2023Molecular Dynamic Study of the Applicability of Silicene Lithium Ion Battery Anodes: A ReviewGalashev, A. Ye.
2023Molecular dynamics simulation of the Ni – FLiNaK interface: adsorption layers as origin of metal passivityZakiryanov, D. O.; Kobelev, M. A.
2023Molecular Dynamics Simulation of Thin Silicon Carbide Films Formation by the Electrolytic MethodGalashev, A.; Abramova, K.
2019Molecular dynamics study of the stability of aluminium coatings on ironGalashev, A. Y.; Rakhmanova, O. R.; Kovrov, V. A.; Zaikov, Y. P.
2005The Monte Carlo and Molecular Dynamics Simulation of Gas-surface InteractionBorisov, S.; Sazhin, O.; Gerasimova, O.
2023N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteinsGarcia-Santos, I.; Castiñeiras, A.; Eftekhari, Sis, B.; Mahmoudi, G.; Safin, D. A.
2023Natural Products from Marine Actinomycete Genus Salinispora Might Inhibit 3CLpro and PLpro Proteins of SARS-CoV-2: An In Silico EvidencePokharkar, O.; Zyryanov, G. V.; Tsurkan, M. V.
2023Natural Products from Red Algal Genus Laurencia as Potential Inhibitors of RdRp and nsp15 Enzymes of SARS-CoV-2: An In Silico PerspectivePokharkar, O.; Anumolu, H.; Zyryanov, G. V.; Tsurkan, M. V.
2023A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 ProteinsKrysantieva, A. I.; Voronina, J. K.; Safin, D. A.
2023A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteinsOmar, R. A.; Koparir, P.; Sarac, K.; Koparir, M.; Safin, D. A.
2023Novel high-risk missense mutations identification in FAT4 gene causing Hennekam syndrome and Van Maldergem syndrome 2 through molecular dynamics simulationShinwari, K.; Rehman, H. M.; Xiao, N.; Guojun, L.; Khan, M. A.; Bolkov, M. A.; Tuzankina, I. A.; Chereshnev, V. A.
2018Nucleation instability in supercooled Cu-Zr-Al glass-forming liquidsRyltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.; Shunyaev, K. Y.
2020PDADMAC/PSS oligoelectrolyte multilayers: Internal structure and hydration properties at early growth stages from atomistic simulationsSánchez, P. A.; Vögele, M.; Smiatek, J.; Qiao, B.; Sega, M.; Holm, C.
июл-2022PEG-4000 Increases Solubility and Dissolution Rate of Vinpocetin in Solid Dispersion SystemPolkovnikova, Ya. A.; Glizhova, T. N.; Arutyunova, N. V.; Sokulskaya, N. N.
2020Phase selection and microstructure of slowly solidified Al-Cu-Fe alloysKamaeva, L. V.; Sterkhova, I. V.; Lad'yanov, V. I.; Ryltsev, R. E.; Chtchelkatchev, N. M.
2020Polytetrahedral short-range order and crystallization stability in supercooled Cu64.5Zr35.5 metallic liquidRyltsev, R. E.; Chtchelkatchev, N. M.