| Impact of genome reduction on bacterial metabolism and its regulation E Yus, T Maier, K Michalodimitrakis, V van Noort, T Yamada, WH Chen, ... science 326 (5957), 1263-1268, 2009 | 418 | 2009 |
| Artificial intelligence for natural product drug discovery MW Mullowney, KR Duncan, SS Elsayed, N Garg, JJJ van der Hooft, ... Nature Reviews Drug Discovery 22 (11), 895-916, 2023 | 346 | 2023 |
| Automated selection of positions determining functional specificity of proteins by comparative analysis of orthologous groups in protein families OV Kalinina, AA Mironov, MS Gelfand, AB Rakhmaninova Protein Science 13 (2), 443-456, 2004 | 156 | 2004 |
| Comparative genomics of regulation of heavy metal resistance in Eubacteria EA Permina, AE Kazakov, OV Kalinina, MS Gelfand BMC microbiology 6 (1), 49, 2006 | 108 | 2006 |
| SDPpred: a tool for prediction of amino acid residues that determine differences in functional specificity of homologous proteins OV Kalinina, PS Novichkov, AA Mironov, MS Gelfand, AB Rakhmaninova Nucleic acids research 32 (suppl 2), W424-W428, 2004 | 106 | 2004 |
| Guiding questions to avoid data leakage in biological machine learning applications J Bernett, DB Blumenthal, DG Grimm, F Haselbeck, R Joeres, OV Kalinina, ... Nature Methods 21 (8), 1444-1453, 2024 | 83 | 2024 |
| Systematic discovery of linear binding motifs targeting an ancient protein interaction surface on MAP kinases A Zeke, T Bastys, A Alexa, Á Garai, B Mészáros, K Kirsch, Z Dosztányi, ... Molecular systems biology 11 (11), 837, 2015 | 81 | 2015 |
| An automated stochastic approach to the identification of the protein specificity determinants and functional subfamilies PV Mazin, MS Gelfand, AA Mironov, AB Rakhmaninova, AR Rubinov, ... Algorithms for Molecular Biology 5 (1), 29, 2010 | 68 | 2010 |
| DIGGER: exploring the functional role of alternative splicing in protein interactions Z Louadi, K Yuan, A Gress, O Tsoy, OV Kalinina, J Baumbach, ... Nucleic Acids Research, 2020 | 62 | 2020 |
| Targeting actin inhibits repair of doxorubicin-induced DNA damage: a novel therapeutic approach for combination therapy L Pfitzer, C Moser, F Gegenfurtner, A Arner, F Foerster, C Atzberger, ... Cell death & disease 10 (4), 302, 2019 | 51 | 2019 |
| Combining specificity determining and conserved residues improves functional site prediction OV Kalinina, MS Gelfand, RB Russell BMC bioinformatics 10 (1), 174, 2009 | 51 | 2009 |
| StructMAn: annotation of single-nucleotide polymorphisms in the structural context A Gress, V Ramensky, J Büch, A Keller, OV Kalinina Nucleic acids research 44 (W1), W463-W468, 2016 | 50 | 2016 |
| Enthalpy–Entropy Compensation upon Molecular Conformational Changes M Ahmad, V Helms, T Lengauer, OV Kalinina Journal of Chemical Theory and Computation 11 (4), 1410-1418, 2015 | 41 | 2015 |
| Modelling binding between CCR5 and CXCR4 receptors and their ligands suggests the surface electrostatic potential of the co-receptor to be a key player in the HIV-1 tropism OV Kalinina, N Pfeifer, T Lengauer Retrovirology 10 (1), 130, 2013 | 38 | 2013 |
| Combinations of protein-chemical complex structures reveal new targets for established drugs OV Kalinina, O Wichmann, G Apic, RB Russell PLOS computational biology 7 (5), e1002043, 2011 | 37 | 2011 |
| Data splitting to avoid information leakage with DataSAIL R Joeres, DB Blumenthal, OV Kalinina Nature Communications 16 (1), 3337, 2025 | 33* | 2025 |
| Consistent prediction of mutation effect on drug binding in HIV-1 protease using alchemical calculations T Bastys, V Gapsys, NT Doncheva, R Kaiser, BL de Groot, OV Kalinina Journal of chemical theory and computation 14 (7), 3397-3408, 2018 | 30 | 2018 |
| Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA A Sikandar, K Cirnski, G Testolin, C Volz, M Brönstrup, OV Kalinina, ... Journal of the American Chemical Society 140 (48), 16641-16649, 2018 | 28 | 2018 |
| The bottromycin epimerase BotH defines a group of atypical α/β-hydrolase-fold enzymes A Sikandar, L Franz, S Adam, J Santos-Aberturas, L Horbal, A Luzhetskyy, ... Nature chemical biology 16 (9), 1013-1018, 2020 | 27 | 2020 |
| Non-active site mutants of HIV-1 protease influence resistance and sensitisation towards protease inhibitors T Bastys, V Gapsys, H Walter, E Heger, NT Doncheva, R Kaiser, ... Retrovirology 17 (1), 13, 2020 | 27 | 2020 |
