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Отображение результатов 8 до 27 из 105 < назад   дальше >
Дата публикацииНазваниеАвторы
2022Behaviour of a Magnetic Nanogel in a Shear FlowNovikau, I. S.; Novak, E. V.; Pyanzina, E. S.; Kantorovich, S. S.
2022Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulationsSingh, R.; Bhardwaj, V. K.; Das, P.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R.
2020Characterisation of the magnetic response of nanoscale magnetic filaments in applied fieldsMostarac, D.; Sánchez, P. A.; Kantorovich, S.
2014Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutionsSega, M.; Kantorovich, S. S.; Holm, C.; Arnold, A.
2023Computational Modeling of Doped 2D Anode Materials for Lithium-Ion BatteriesGalashev, A.
2019Computational study of lithium intercalation in silicene channels on a carbon substrate after nuclear transmutation dopingGalashev, A.; Ivanichkina, K.; Katin, K.; Maslov, M.
2019Computer study of the structure and thermal stability of a monolayer mos2 film on a diamond substrateGalashev, A. Y.; Ivanichkina, K. A.
2023Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer’s DiseaseMakhaeva, G. F.; Kovaleva, N. V.; Rudakova, E. V.; Boltneva, N. P.; Grishchenko, M. V.; Lushchekina, S. V.; Astakhova, T. Y.; Serebryakova, O. G.; Timokhina, E. N.; Zhilina, E. F.; Shchegolkov, E. V.; Ulitko, M. V.; Radchenko, E. V.; Palyulin, V. A.; Burgart, Y. V.; Saloutin, V. I.; Bachurin, S. O.; Richardson, R. J.
2016Cooling rate dependence of simulated Cu64.5Zr35.5 metallic glass structureRyltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.; Shunyaev, K. Y.
2023Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 ProteinsPanova, E. V.; Voronina, J. K.; Safin, D. A.
2022Deep Machine Learning Potentials for Multicomponent Metallic Melts: Development, Predictability and Compositional TransferabilityRyltsev, R. E.; Chtchelkatchev, N. M.
2019Deformation behaviour of aluminium nanocrystals under shock-wave loadingVlasova, A. M.
2023Derivatives of 9-phosphorylated acridine as butyrylcholinesterase inhibitors with antioxidant activity and the ability to inhibit β-amyloid self-aggregation: potential therapeutic agents for Alzheimer’s diseaseMakhaeva, G. F.; Kovaleva, N. V.; Rudakova, E. V.; Boltneva, N. P.; Lushchekina, S. V.; Astakhova, T. Y.; Timokhina, E. N.; Serebryakova, O. G.; Shchepochkin, A. V.; Averkov, M. A.; Utepova, I. A.; Demina, N. S.; Radchenko, E. V.; Palyulin, V. A.; Fisenko, V. P.; Bachurin, S. O.; Chupakhin, O. N.; Charushin, V. N.; Richardson, R. J.
2023DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxalGarkusha, N. A.; Anikeeva, O. P.; Bayıl, I.; Taskin-Tok, T.; Safin, D. A.
2020Diffusion of single active-dipolar cubes in applied fieldsKaiser, M.; Martinez, Y.; Schmidt, A. M.; Sánchez, P. A.; Kantorovich, S. S.
2021Divalent Multilinking Bonds Control Growth and Morphology of NanopolymersXiong, Y.; Lin, Z.; Mostarac, D.; Minevich, B.; Peng, Q.; Zhu, G.; Sánchez, P. A.; Kantorovich, S.; Ke, Y.; Gang, O.
2017Effects of nanoparticle heating on the structure of a concentrated aqueous salt solutionSindt, J. O.; Alexander, A. J.; Camp, P. J.
2020Efficient synthesis of imino-1,3-thiazinan-4-one promoted by acetonitrile electrogenerated base and computational stadies with CB1 and 11 βHSD1 moleculesSbei, N.; Titov, A. A.; Voskressensky, L. G.
2015Ferrogels cross-linked by magnetic particles: Field-driven deformation and elasticity studied using computer simulationsWeeber, R.; Kantorovich, S.; Holm, C.
2023Fitting the Pair Potentials for Molten Salts: A Review in BriefZakiryanov, D. O.