| GPCRdb: an information system for G protein-coupled receptors V Isberg, S Mordalski, C Munk, K Rataj, K Harpsøe, AS Hauser, B Vroling, ... Nucleic acids research 44 (D1), D356-D364, 2016 | 322 | 2016 |
| Mol-CycleGAN: a generative model for molecular optimization Ł Maziarka, A Pocha, J Kaczmarczyk, K Rataj, T Danel, M Warchoł Journal of Cheminformatics 12 (1), 2, 2020 | 228 | 2020 |
| GPCRdb: the G protein‐coupled receptor database–an introduction C Munk, V Isberg, S Mordalski, K Harpsøe, K Rataj, AS Hauser, P Kolb, ... British Journal of Pharmacology 173 (14), 2195-2207, 2016 | 222 | 2016 |
| Molecule attention transformer Ł Maziarka, T Danel, S Mucha, K Rataj, J Tabor, S Jastrzębski arXiv preprint arXiv:2002.08264, 2020 | 170 | 2020 |
| Salt bridge in ligand–protein complexes—systematic theoretical and statistical investigations R Kurczab, P Śliwa, K Rataj, R Kafel, AJ Bojarski Journal of Chemical Information and Modeling 58 (11), 2224-2238, 2018 | 67 | 2018 |
| GPCRdb: an information system for G protein-coupled receptors V Isberg, S Mordalski, C Munk, K Rataj, K Harpsøe, AS Hauser, B Vroling, ... Nucleic Acids Research 45 (5), 2936-2936, 2017 | 50 | 2017 |
| Impact of template choice on homology model efficiency in virtual screening K Rataj, J Witek, S Mordalski, T Kosciolek, AJ Bojarski Journal of chemical information and modeling 54 (6), 1661-1668, 2014 | 50 | 2014 |
| JUMP Cell Painting dataset: morphological impact of 136,000 chemical and genetic perturbations SN Chandrasekaran, J Ackerman, E Alix, DM Ando, J Arevalo, M Bennion, ... Biorxiv, 2023.03. 23.534023, 2023 | 28 | 2023 |
| From Homology Models to a Set of Predictive Binding Pockets–a 5-HT1A Receptor Case Study D Warszycki, M Rueda, S Mordalski, K Kristiansen, G Satała, K Rataj, ... Journal of chemical information and modeling 57 (2), 311-321, 2017 | 28 | 2017 |
| An application of machine learning methods to structural interaction fingerprints—a case study of kinase inhibitors J Witek, S Smusz, K Rataj, S Mordalski, AJ Bojarski Bioorganic & medicinal chemistry letters 24 (2), 580-585, 2014 | 27 | 2014 |
| Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT2BR Ligands K Rataj, ÁA Kelemen, J Brea, MI Loza, AJ Bojarski, GM Keserű Molecules 23 (5), 1137, 2018 | 20 | 2018 |
| Compounds activity prediction in large imbalanced datasets with substructural relations fingerprint and EEM WM Czarnecki, K Rataj 2015 IEEE Trustcom/BigDataSE/ISPA 2, 192-192, 2015 | 14 | 2015 |
| Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning MethodsA Case Study of Serotonin Receptors 5-HT6 and 5-HT7 S Smusz, S Mordalski, J Witek, K Rataj, R Kafel, AJ Bojarski Journal of chemical information and modeling 55 (4), 823-832, 2015 | 14 | 2015 |
| Multiple conformational states in retrospective virtual screening–homology models vs. crystal structures: beta-2 adrenergic receptor case study S Mordalski, J Witek, S Smusz, K Rataj, AJ Bojarski Journal of Cheminformatics 7, 1-9, 2015 | 13 | 2015 |
| Substructural connectivity fingerprint and extreme entropy machines—a new method of compound representation and analysis K Rataj, W Czarnecki, S Podlewska, A Pocha, AJ Bojarski Molecules 23 (6), 1242, 2018 | 7 | 2018 |
| Molecule-augmented attention transformer Ł Maziarka, T Danel, S Mucha, K Rataj, J Tabor, S Jastrzębski Workshop on Graph Representation Learning, Neural Information Processing Systems, 2019 | 6 | 2019 |
| Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis-insight into activity and selectivity J Witek, K Rataj, S Mordalski, S Smusz, T Kosciolek, AJ Bojarski Journal of Cheminformatics 5, 1-1, 2013 | 3 | 2013 |
| The importance of template choice in homology modeling. A 5-HT6R case study K Rataj, J Witek, S Mordalski, T Kościółek, AJ Bojarski Journal of Cheminformatics 5, 1-1, 2013 | 1 | 2013 |
| Multimodal Approach to MoA Prediction Based on Cell Painting Imaging and Chemical Structure Data M Koziarski, P Gaiński, K Rataj, A Borowa, K Wójtowicz, J Gwóźdź, ... | 1 | |
| Decoding phenotypic screening: A comparative analysis of image representations A Borowa, D Rymarczyk, M Żyła, M Kańdula, A Sánchez-Fernández, ... Computational and Structural Biotechnology Journal 23, 1181-1188, 2024 | | 2024 |
Andrzej BojarskiMaj Institute of Pharmacology Polish Academy of SciencesVerified email at if-pan.krakow.pl
