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Krzysztof Rataj
Krzysztof Rataj
Ardigen S.A
Verified email at ardigen.com
Title
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Cited by
Year
GPCRdb: an information system for G protein-coupled receptors
V Isberg, S Mordalski, C Munk, K Rataj, K Harps°e, AS Hauser, B Vroling, ...
Nucleic acids research 44 (D1), D356-D364, 2016
3262016
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
2452020
GPCRdb: the G protein‐coupled receptor database–an introduction
C Munk, V Isberg, S Mordalski, K Harps°e, K Rataj, AS Hauser, P Kolb, ...
British Journal of Pharmacology 173 (14), 2195-2207, 2016
2262016
Molecule attention transformer
Ł Maziarka, T Danel, S Mucha, K Rataj, J Tabor, S Jastrzębski
arXiv preprint arXiv:2002.08264, 2020
1792020
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
682018
GPCRdb: an information system for G protein-coupled receptors
V Isberg, S Mordalski, C Munk, K Rataj, K Harps°e, AS Hauser, B Vroling, ...
Nucleic Acids Research 45 (5), 2936-2936, 2017
512017
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
502014
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
362023
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
282017
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
272014
Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT2BR Ligands
K Rataj, ┴A Kelemen, J Brea, MI Loza, AJ Bojarski, GM Keserű
Molecules 23 (5), 1137, 2018
202018
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
142015
Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning MethodsA 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
142015
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
132015
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
72018
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
62019
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
32013
The importance of template choice in homology modeling. A 5-HT6R case study
K Rataj, J Witek, S Mordalski, T Kościˇłek, AJ Bojarski
Journal of Cheminformatics 5, 1-1, 2013
12013
Multimodal Approach to MoA Prediction Based on Cell Painting Imaging and Chemical Structure Data
M Koziarski, P Gaiński, K Rataj, A Borowa, K Wˇjtowicz, J Gwˇźdź, ...
1
Decoding phenotypic screening: A comparative analysis of image representations
A Borowa, D Rymarczyk, M Żyła, M Kańdula, A Sßnchez-Fernßndez, ...
Computational and Structural Biotechnology Journal 23, 1181-1188, 2024
2024
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