Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment MF Lensink, G Brysbaert, T Mauri, N Nadzirin, S Velankar, RAG Chaleil, ... Proteins: Structure, Function, and Bioinformatics 89 (12), 1800-1823, 2021 | 100 | 2021 |
Improved Modeling of Peptide-Protein Binding Through Global Docking and Accelerated Molecular Dynamics Simulations J Wang, A Alekseenko, D Kozakov, Y Miao Frontiers in Molecular Biosciences 6, 112, 2019 | 73 | 2019 |
Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases C Yueh, TJ Rettenmaier, B Xia, DR Hall, A Alekseenko, KA Porter, ... Journal of Medicinal Chemistry 62 (14), 6512-6524, 2019 | 69 | 2019 |
Protein–Protein and Protein–Peptide Docking with ClusPro Server A Alekseenko, M Ignatov, G Jones, M Sabitova, D Kozakov Protein Structure Prediction, 157-174, 2020 | 45 | 2020 |
Use of deep neural network ensembles to identify embryonic-fetal transition markers: repression of COX7A1 in embryonic and cancer cells MD West, I Labat, H Sternberg, D Larocca, I Nasonkin, KB Chapman, ... Oncotarget 9 (8), 7796–7811, 2018 | 45 | 2018 |
Molecular mechanisms, thermodynamics, and dissociation kinetics of knob-hole interactions in fibrin O Kononova, RI Litvinov, A Zhmurov, A Alekseenko, CH Cheng, ... Journal of Biological Chemistry 288 (31), 22681-22692, 2013 | 39 | 2013 |
ClusPro LigTBM: automated template-based small molecule docking A Alekseenko, S Kotelnikov, M Ignatov, M Egbert, Y Kholodov, S Vajda, ... Journal of molecular biology 432 (11), 3404-3410, 2020 | 25 | 2020 |
Template‐Based Modeling by ClusPro in CASP13 and the Potential for Using Co‐evolutionary Information in Docking KA Porter, D Padhorny, I Desta, M Ignatov, D Beglov, S Kotelnikov, Z Sun, ... Proteins: Structure, Function, and Bioinformatics, 2019 | 22 | 2019 |
Protein–ligand docking using FFT based sampling: D3R case study D Padhorny, DR Hall, H Mirzaei, AB Mamonov, M Moghadasi, ... Journal of computer-aided molecular design 32, 225-230, 2018 | 21 | 2018 |
Traffic flow speed prediction on transportation graph with convolutional neural networks NG Prokoptsev, AE Alekseenko, YA Kholodov Computer Research and Modeling 10 (3), 359-367, 2018 | 19 | 2018 |
Monte Carlo on the manifold and MD refinement for binding pose prediction of protein–ligand complexes: 2017 D3R Grand Challenge M Ignatov, C Liu, A Alekseenko, Z Sun, D Padhorny, S Kotelnikov, ... Journal of computer-aided molecular design 33 (1), 119-127, 2019 | 16 | 2019 |
Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4 S Kotelnikov, A Alekseenko, C Liu, M Ignatov, D Padhorny, E Brini, ... Journal of Computer-Aided Molecular Design 34 (2), 179-189, 2020 | 15 | 2020 |
SOP‐GPU: influence of solvent‐induced hydrodynamic interactions on dynamic structural transitions in protein assemblies A Alekseenko, O Kononova, Y Kholodov, KA Marx, V Barsegov Journal of Computational Chemistry 37 (17), 1537-1551, 2016 | 13 | 2016 |
ClusPro in rounds 38‐45 of CAPRI: Toward combining template‐based methods with free docking D Padhorny, KA Porter, M Ignatov, A Alekseenko, D Beglov, S Kotelnikov, ... Proteins: Structure, Function, and Bioinformatics, 2020 | 12 | 2020 |
Bayesian localization for autonomous vehicle using sensor fusion and traffic signs S Verentsov, E Magerramov, V Vinogradov, R Gizatullin, A Alekseenko, ... Proceedings of the 3rd International Conference on Robotics and Artificial …, 2017 | 11 | 2017 |
Experiences With Adding SYCL Support to GROMACS. A Alekseenko, S Páll, E Lindahl IWOCL, 17:1, 2021 | 8 | 2021 |
ITS+DM Hackathon (ITSC 2017): Lane Departure Prediction with Naturalistic Driving Data A Alekseenko, HQ Dang, G Bansal, JJ Sánchez-Medina, C Miyajima, ... IEEE Intelligent Transportation Systems Magazine 11 (4), 78-93, 2019 | 8 | 2019 |
Разработка, калибровка и верификация модели движения трафика в городских условиях. Часть I АЕ Алексеенко, ЯА Холодов, АС Холодов, АИ Горева, МО Васильев, ... Компьютерные исследования и моделирование 7 (6), 1185-1203, 2015 | 8* | 2015 |
Построение математической модели дорожного перекрестка на основе гидродинамического подхода ЯА Холодов, АЕ Алексеенко, МО Васильев, АС Холодов Компьютерные исследования и моделирование 6 (4), 503-522, 2014 | 8* | 2014 |
Реализация клеточных автоматов «игра “Жизнь”» с применением технологий CUDA и OpenCL АЕ Алексеенко, АМ Казённов Компьютерные исследования и моделирование 2 (3), 323-326, 2010 | 8* | 2010 |