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Дата публикацииНазваниеАвторы
2023Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approachesRehman, H. M.; Sajjad, M.; Ali, M. A.; Gul, R.; Naveed, M.; Aslam, M. S.; Shinwari, K.; Bhinder, M. A.; Ghani, M. U.; Saleem, M.; Rather, M. A.; Ahmad, I.; Amin, A.
2020The Impact of Magnetic Field on the Conformations of Supracolloidal Polymer-like Structures with Super-paramagnetic MonomersMostarac, D.; Novak, E. V.; Sánchez, P. A.; Kantorovich, S. S.
2023In silico analysis of the contribution of cardiomyocyte-fibroblast electromechanical interaction to the arrhythmiaKursanov, A.; Balakina-Vikulova, N. A.; Solovyova, O.; Panfilov, A.; Katsnelson, L. B.
2022In Silico Evaluation of Antifungal Compounds from Marine Sponges against COVID-19-Associated MucormycosisPokharkar, O.; Lakshmanan, H.; Zyryanov, G.; Tsurkan, M.
2023In-silico assessment of high-risk non-synonymous SNPs in ADAMTS3 gene associated with Hennekam syndrome and their impact on protein stability and functionShinwari, K.; Wu, Y.; Rehman, H. M.; Xiao, N.; Bolkov, M.; Tuzankina, I.; Chereshnev, V.
2020The influence of an applied magnetic field on the self-assembly of magnetic nanogelsNovikau, I. S.; Sánchez, P. A.; Kantorovich, S. S.
2020The influence of crosslinkers and magnetic particle distribution along the filament backbone on the magnetic properties of supracolloidal linear polymer-like chainsMostarac, D.; Vaughan, L.; Sánchez, P. A.; Kantorovich, S. S.
2013The influence of defects on magnetic properties of fcc-PuShorikov, A. O.; Anisimov, V. I.; Korotin, M. A.; Dremov, V. V.; Sapozhnikov, P. A.
2013Influence of impurity-vacancy disorder on characteristics of gadolinium-doped ceria oxide: Molecular dynamics studyKovalenko, M. A.; Kupryazhkin, A. Ya.
2020The influence of polydispersity on the structural properties of the isotropic phase of magnetic nanoplateletsRosenberg, M.; Gregorin, Ž.; Boštjančič, P. H.; Sebastián, N.; Lisjak, D.; Kantorovich, S. S.; Mertelj, A.; Sánchez, P. A.
2023An insight from computational approach to explore novel, high-affinity phosphodiesterase 10A inhibitors for neurological disordersSharma, B.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R.
2020Instantaneous shear modulus of Yukawa fluids across coupling regimesKhrapak, S. A.; Klumov, B. A.
2020Interparticle correlations in the simple cubic lattice of ferroparticles: Theory and computer simulationsSolovyova, A. Y.; Kuznetsov, A. A.; Elfimova, E. A.
2015Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic LiquidsHantal, G.; Sega, M.; Kantorovich, S.; Schröder, C.; Jorge, M.
2013Investigation of cation self-diffusion mechanisms in UO 2±x using molecular dynamicsBoyarchenkov, A. S.; Potashnikov, S. I.; Nekrasov, K. A.; Kupryazhkin, A. Ya.
2020Kinetic test of a doped silicene-graphite anode element in a computer experimentGalashev, A. Y.; Rakhmanova, O. R.; Zaikov, Y. P.
2019Kinetics of rapid crystal growth: Phase field theory versus atomistic simulationsGalenko, P. K.; Salhoumi, A.; Ankudinov, V.
2022Kinetics of rapid growth and melting of Al50Ni50 alloying crystals: phase field theory versus atomistic simulations revisited *Rozas, R. E.; Ankudinov, V.; Galenko, P. K.
2021Kinetics of solid-liquid interface motion in molecular dynamics and phase-field models: Crystallization of chromium and siliconKarim, E. T.; He, M.; Salhoumi, A.; Zhigilei, L. V.; Galenko, P. K.
2020Latent tracks of swift Bi ions in Si3N4Van, Vuuren, A. J.; Ibrayeva, A.; Rymzhanov, R. A.; Zhalmagambetova, A.; O'Connell, J. H.; Skuratov, V. A.; Uglov, V. V.; Zlotski, S. V.; Volkov, A. E.; Zdorovets, M.