| Deep learning enables rapid identification of potent DDR1 kinase inhibitors A Zhavoronkov, YA Ivanenkov, A Aliper, MS Veselov, VA Aladinskiy, ... Nature biotechnology 37 (9), 1038-1040, 2019 | 941 | 2019 |
| Potential 2019-nCoV 3C-like protease inhibitors designed using generative deep learning approaches A Zhavoronkov, V Aladinskiy, A Zhebrak, B Zagribelnyy, V Terentiev, ... | 213 | 2020 |
| Are we opening the door to a new era of medicinal chemistry or being collapsed to a chemical singularity? Perspective YA Ivanenkov, BA Zagribelnyy, VA Aladinskiy Journal of medicinal chemistry 62 (22), 10026-10043, 2019 | 69 | 2019 |
| Potential COVID-2019 3C-like protease inhibitors designed using generative deep learning approaches. ChemRxiv A Zhavoronkov, V Aladinskiy, A Zhebrak, B Zagribelnyy, V Terentiev, ... Preprint posted online on February 11, 2020 | 47 | 2020 |
| Potential non-covalent SARS-CoV-2 3C-like protease inhibitors designed using generative deep learning approaches and reviewed by human medicinal chemist in virtual reality A Zhavoronkov, B Zagribelnyy, A Zhebrak, V Aladinskiy, V Terentiev, ... | 44 | 2020 |
| Chemistry42: an AI-driven platform for molecular design and optimization YA Ivanenkov, D Polykovskiy, D Bezrukov, B Zagribelnyy, V Aladinskiy, ... Journal of Chemical Information and Modeling 63 (3), 695-701, 2023 | 41 | 2023 |
| Identification of novel antibacterials using machine learning techniques YA Ivanenkov, A Zhavoronkov, RS Yamidanov, IA Osterman, PV Sergiev, ... Frontiers in pharmacology 10, 913, 2019 | 33 | 2019 |
| Synthesis and biological evaluation of novel dispiro compounds based on 5-arylidenehydantoins and isatins as inhibitors of p53–mdm2 protein–protein interaction A Beloglazkina, A Barashkin, V Polyakov, G Kotovsky, N Karpov, ... Chemistry of Heterocyclic Compounds 56, 747-755, 2020 | 16 | 2020 |
| The hitchhiker’s guide to deep learning driven generative chemistry Y Ivanenkov, B Zagribelnyy, A Malyshev, S Evteev, V Terentiev, P Kamya, ... ACS Medicinal Chemistry Letters 14 (7), 901-915, 2023 | 11 | 2023 |
| Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission JC Jones, B Zagribelnyy, PNQ Pascua, DS Bezrukov, S Barman, F Okda, ... PLoS Pathogens 18 (7), e1010698, 2022 | 9 | 2022 |
| Potential 2019-nCoV 3C-like protease inhibitors designed using generative deep learning approaches DNA double-strand break repair in mammalian cells A Zhavoronkov, VA Aladinskiy, A Zhebrak, B Zagribelnyy, V Terentiev, ... View project Matrix-isolated systems modeling View project 10, 2020 | 9 | 2020 |
| Chemistry42: An AI-based platform for de novo molecular design YA Ivanenkov, A Zhebrak, D Bezrukov, B Zagribelnyy, V Aladinskiy, ... arXiv preprint arXiv:2101.09050, 2021 | 4 | 2021 |
| Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors AA Ivashchenko, YA Ivanenkov, VA Aladinskiy, RN Karapetian, ... Bioorganic & Medicinal Chemistry 28 (20), 115716, 2020 | 3 | 2020 |
| Retrosynthesis-related synthetic accessibility B Zagribelnyy, EO Putin, SA Fedorchenko, YA Ivanenkov, A Zavoronkovs US Patent App. 17/911,376, 2023 | 2 | 2023 |
| The Efficacy of Aprotinin Combinations with Selected Antiviral Drugs in Mouse Models of Influenza Pneumonia and Coronavirus Infection Caused by SARS-CoV-2 AA Ivashchenko, BA Zagribelnyy, YA Ivanenkov, IA Ivashchenko, ... Molecules 27 (15), 4975, 2022 | 2 | 2022 |
| SARS-CoV-2 inhibitors having covalent modifications for treating coronavirus infections A Zavoronkovs, YA Ivanenkov, B Zagribelnyy US Patent App. 18/049,757, 2023 | 1 | 2023 |
| Retrosynthesis systems and methods A Konstantinov, EO Putin, B Zagribelnyy, YA Ivanenkov, A Zavoronkovs US Patent App. 17/456,860, 2022 | 1 | 2022 |
| Large-scale High-throughput Screening Revealed 5'-(carbonylamino)-2, 3'-bithiophene-4'-carboxylate as Novel Template for Antibacterial Agents. YA Ivanenkov, RS Yamidanov, IA Osterman, PV Sergiev, VA Aladinskiy, ... Current Drug Discovery Technologies 17 (5), 716-724, 2020 | 1 | 2020 |
| Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study S Evteev, Y Ivanenkov, I Semenov, M Malkov, O Mazaleva, A Bodunov, ... Frontiers in Chemistry 12, 1382512, 2024 | | 2024 |
| Sars-cov-2 inhibitors for treating coronavirus infections D Xiao, J Peng, F Ren, X Ding, B Zagribelnyy, YA Ivanenkov US Patent App. 18/339,366, 2024 | | 2024 |
Yan A. IvanenkovinsilicomedicineVerified email at insilicomedicine.com
