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ORCIDKrzysztof Rataj
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Journal Articles
- 2020
[j9]Lukasz Maziarka
, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol:
Mol-CycleGAN: a generative model for molecular optimization. J. Cheminformatics 12(1): 2 (2020)- 2018
- [j8]Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski:
Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations. J. Chem. Inf. Model. 58(11): 2224-2238 (2018) - 2017
- [j7]Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski:
From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study. J. Chem. Inf. Model. 57(2): 311-321 (2017) - 2016
- [j6]Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam:
GPCRdb: an information system for G protein-coupled receptors. Nucleic Acids Res. 44(Database-Issue): 356-364 (2016) - 2015
- [j5]Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski:
Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study. J. Cheminformatics 7: 13 (2015) - [j4]Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski:
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. J. Chem. Inf. Model. 55(4): 823-832 (2015) - 2014
- [j3]Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski:
Impact of Template Choice on Homology Model Efficiency in Virtual Screening. J. Chem. Inf. Model. 54(6): 1661-1668 (2014) - 2013
- [j2]Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski:
The importance of template choice in homology modeling. A 5-HT6R case study. J. Cheminformatics 5(S-1): 8 (2013) - [j1]Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski:
Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity. J. Cheminformatics 5(S-1): 28 (2013)
Conference and Workshop Papers
- 2019
- [c2]Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol:
Mol-CycleGAN - A Generative Model for Molecular Optimization. ICANN (Workshop) 2019: 810-816 - 2015
- [c1]Wojciech Marian Czarnecki, Krzysztof Rataj:
Compounds Activity Prediction in Large Imbalanced Datasets with Substructural Relations Fingerprint and EEM. TrustCom/BigDataSE/ISPA (2) 2015: 192
Informal and Other Publications
- 2020
- [i2]Lukasz Maziarka, Tomasz Danel, Slawomir Mucha, Krzysztof Rataj, Jacek Tabor, Stanislaw Jastrzebski:
Molecule Attention Transformer. CoRR abs/2002.08264 (2020) - 2019
- [i1]Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol:
Mol-CycleGAN - a generative model for molecular optimization. CoRR abs/1902.02119 (2019)
Coauthor Index
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