Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors AM Andrianov, GI Nikolaev, NA Shuldov, IP Bosko, AI Anischenko, ... Journal of Biomolecular Structure and Dynamics 40 (16), 7555-7573, 2022 | 31 | 2022 |
In silico identification of novel aromatic compounds as potential HIV-1 entry inhibitors mimicking cellular receptor CD4 AM Andrianov, GI Nikolaev, YV Kornoushenko, W Xu, S Jiang, AV Tuzikov Viruses 11 (8), 746, 2019 | 11 | 2019 |
Click chemistry in silico, docking, quantum chemical calculations, and molecular dynamics simulations to identify novel 1, 2, 4-triazole-based compounds as potential aromatase … AM Andrianov, GI Nikolaev, YV Kornoushenko, SA Usanov SN Applied Sciences 1 (9), 1026, 2019 | 9 | 2019 |
SimRNAweb v2. 0: a web server for RNA folding simulations and 3D structure modeling, with optional restraints and enhanced analysis of folding trajectories SN Moafinejad, BRH de Aquino, MJ Boniecki, ... Nucleic Acids Research, gkae356, 2024 | 7 | 2024 |
Development of a neural network-based approach for prediction of potential HIV-1 entry inhibitors using deep learning and molecular modeling methods GI Nikolaev, NA Shuldov, AI Anischenko, AV Tuzikov, AM Andrianov Bioinformatics Research and Applications: 16th International Symposium …, 2020 | 4 | 2020 |
RNA-Puzzles Round V: blind predictions of 23 RNA structures F Bu, Y Adam, RW Adamiak, M Antczak, BRH de Aquino, NG Badepally, ... Nature methods, 1-13, 2024 | 3 | 2024 |
Identification of functional mimetics of anti-hiv antibody n6 by methods of virtual screening and molecular modeling AM Andrianov, GI Nikolaev, YV Kornoushenko, AD Karpenko, J Huang, ... Doklady of the National Academy of Sciences of Belarus 63 (5), 561-571, 2019 | 2 | 2019 |
In silico identification of high-affinity ligands of the HIV-1 gp120 protein, potential peptidomimetics of neutralizing antibody N6 AM Andrianov, GI Nikolaev, YV Kornoushenko, J Huang, S Jiang, ... Matematicheskaya Biologiya i Bioinformatika 14 (2), 430-449, 2019 | 2 | 2019 |
Development of potential HIV-1 inhibitors by in silico click chemistry and molecular modeling methods AM Andrianov, GI Nikolaev, IA Kashin, AV Tuzikov Matematicheskaya biologiya i bioinformatika 13 (2), 507-525, 2018 | 2 | 2018 |
In silico design and evaluation of the potential activity of novel HIV-1 inhibitors–mimetics of the primary receptor CD4 of the viral envelope gp120 protein AM Andrianov, IA Kashyn, GI Nikolaev, AV Tuzikov Doklady of the National Academy of Sciences of Belarus 61 (3), 47-57, 2017 | 2 | 2017 |
Molecular modeling of novel non-steroidal aromatase inhibitors containing 1, 2, 4-triazole AM Andrianov, GI Nikolaev, IA Kashin, YV Kornoushenko, SA Usanov Matematicheskaya Biologiya i Bioinformatika 13 (1), 290-307, 2018 | 1 | 2018 |
NAIRDB: a database of fourier transform infrared (FTIR) data for nucleic acids E Balduzzi, F Geinguenaud, D Sordyl, S Maiti, MA Farsani, G Nikolaev, ... Nucleic Acids Research 53 (D1), D157-D162, 2025 | | 2025 |
SQUARNA-an RNA secondary structure prediction method based on a greedy stem formation model DR Bohdan, GI Nikolaev, JM Bujnicki, EF Baulin bioRxiv, 2023.08. 28.555103, 2023 | | 2023 |
Development of a generative adversarial neural network for identification of potential HIV-1 inhibitors by deep learning methods GI Nikolaev, NA Shuldov, AI Anishenko, AV Tuzikov, AM Andrianov Informatics 17 (1), 7-17, 2020 | | 2020 |
In Silico Design and Evaluation of Novel Triazole-Based Compounds as Promising Drug Candidates Against Breast Cancer AM Andrianov, GI Nikolaev, YV Kornoushenko, SA Usanov Bioinformatics Research and Applications: 16th International Symposium …, 2020 | | 2020 |
In Silico-Guided Discovery of Potential HIV-1 Entry Inhibitors Mimicking bNAb N6: Virtual Screening, Docking, Molecular Dynamics, and Post-Molecular Modeling Analysis AM Andrianov, GI Nikolaev, YV Kornoushenko, AD Karpenko, IP Bosko, ... Bioinformatics Research and Applications: 16th International Symposium …, 2020 | | 2020 |
Click chemistry in silico and molecular simulation studies to identify novel HIV-1 entry inhibitor scaffolds targeting CD4-binding site of the envelope gp120 protein AM Andrianov, GI Nikolaev, YV Kornoushenko, AV Tuzikov JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 37, 22-23, 2019 | | 2019 |
Computational design of novel 1, 2, 4-triazole-based compounds as potential aromatase inhibitors AM Andrianov, GI Nikolaev, YV Kornoushenko, SA Usanov JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 37, 23-24, 2019 | | 2019 |
Molecular dynamics for structural complexes of potential HIV-1 inhibitors with the viral envelope gp120 protein IA Kashyn, GI Nikolaev, MA Tuzikov, AM Andrianov Doklady of the National Academy of Sciences of Belarus 62 (5), 576-584, 2018 | | 2018 |
COMPUTER-AIDED DESIGN OF POTENTIAL AROMATASE INHIBITORS BASED ON 1, 2, 4-TRIAZOLE DERIVATIVES AM Andrianov, GI Nikolaev, IA Kashyn, YV Kornoushenko, SA Usanov Doklady of the National Academy of Sciences of Belarus 62 (3), 281-292, 2018 | | 2018 |