| Дата публикации | Название | Авторы |
| 2022 | Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations | Singh, R.; Bhardwaj, V. K.; Das, P.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R. |
| 2023 | Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer’s Disease | Makhaeva, 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. |
| 2023 | Copper(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 Proteins | Panova, E. V.; Voronina, J. K.; Safin, D. A. |
| 2023 | Cytotoxic and Infection-Controlled Investigations of Novel Dihydropyridine Hybrids: An Efficient Synthesis and Molecular-Docking Studies | Guda, M. R.; Zyryanov, G. V.; Dubey, A.; Munagapati, V. S.; Wen, J. -C. |
| 2023 | DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal | Garkusha, N. A.; Anikeeva, O. P.; Bayıl, I.; Taskin-Tok, T.; Safin, D. A. |
| 2023 | FT-IR Analysis of P. aeruginosa Bacteria Inactivation by Femtosecond IR Laser Radiation | Saraeva, I.; Tolordava, E.; Sheligyna, S.; Nastulyavichus, A.; Khmelnitskii, R.; Pokryshkin, N.; Khmelenin, D.; Kudryashov, S.; Ionin, A.; Akhmatkhanov, A. |
| 2023 | Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches | Rehman, 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. |
| 2023 | An insight from computational approach to explore novel, high-affinity phosphodiesterase 10A inhibitors for neurological disorders | Sharma, B.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R. |
| 2020 | Molecular modeling and computational study of the chiral-dependent structures and properties of the self-assembling diphenylalanine peptide nanotubes, containing water molecules | Bystrov, V. S.; Coutinho, J.; Zelenovskiy, P. S.; Nuraeva, A. S.; Kopyl, S.; Filippov, S. V.; Zhulyabina, O. A.; Tverdislov, V. A. |
| 2023 | Natural Products from Marine Actinomycete Genus Salinispora Might Inhibit 3CLpro and PLpro Proteins of SARS-CoV-2: An In Silico Evidence | Pokharkar, O.; Zyryanov, G. V.; Tsurkan, M. V. |
| 2023 | Natural Products from Red Algal Genus Laurencia as Potential Inhibitors of RdRp and nsp15 Enzymes of SARS-CoV-2: An In Silico Perspective | Pokharkar, O.; Anumolu, H.; Zyryanov, G. V.; Tsurkan, M. V. |
| 2020 | Novel pyranopyrazole derivatives comprising a benzoxazole core as antimicrobial inhibitors: Design, synthesis, microbial resistance and machine aided results | Reddy, G. M.; Kumari, A. K.; Reddy, V. H.; Garcia, J. R. |
| 2023 | Peculiarities of the Spatial and Electronic Structure of 2-Aryl-1,2,3-Triazol-5-Carboxylic Acids and Their Salts on the Basis of Spectral Studies and DFT Calculations | Alcolea, Palafox, M.; Belskaya, N. P.; Kostova, I. P. |
| 2022 | Piezo-Responsive Hydrogen-Bonded Frameworks Based on Vanillin-Barbiturate Conjugates | Nebalueva, A. S.; Timralieva, A. A.; Sadovnichii, R. V.; Novikov, A. S.; Zhukov, M. V.; Aglikov, A. S.; Muravev, A. A.; Sviridova, T. V.; Boyarskiy, V. P.; Kholkin, A. L.; Skorb, E. V. |
| 2023 | Plant Coumarins with Anti-HIV Activity: Isolation and Mechanisms of Action | Sharapov, A. D.; Fatykhov, R. F.; Khalymbadzha, I. A.; Zyryanov, G. V.; Chupakhin, O. N.; Tsurkan, M. V. |
| 2014 | Redox-neutral α-oxygenation of amines: Reaction development and elucidation of the mechanism | Richers, M. T.; Breugst, M.; Platonova, A. Y.; Ullrich, A.; Dieckmann, A.; Houk, K. N.; Seidel, D. |
| 2022 | Triazavirin—A Novel Effective Antiviral Drug | Chupakhin, O. N.; Rusinov, V. L.; Varaksin, M. V.; Ulomskiy, E. N.; Savateev, K. V.; Butorin, I. I.; Du, W.; Sun, Z.; Charushin, V. N. |
