Krzysztof Rataj

13 papers Journal 11Unranked 2

Year	Rank	Type	Title / Venue / Authors
2020	J	`jnl`	Mol-CycleGAN: a generative model for molecular optimization. J. Cheminformatics Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol
2020	J	`jnl`	Molecule Attention Transformer. CoRR Lukasz Maziarka, Tomasz Danel, Slawomir Mucha, Krzysztof Rataj, Jacek Tabor, Stanislaw Jastrzebski
2019	—	`conf`	Mol-CycleGAN - A Generative Model for Molecular Optimization. ICANN (Workshop) Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol
2019	J	`jnl`	Mol-CycleGAN - a generative model for molecular optimization. CoRR Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol
2018	J	`jnl`	Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations. J. Chem. Inf. Model. Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
2017	J	`jnl`	From Homology Models to a Set of Predictive Binding Pockets-a 5-HT J. Chem. Inf. Model. Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski
2016	J	`jnl`	GPCRdb: an information system for G protein-coupled receptors. Nucleic Acids Res. Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam
2015	—	`conf`	Compounds Activity Prediction in Large Imbalanced Datasets with Substructural Relations Fingerprint and EEM. TrustCom/BigDataSE/ISPA (2) Wojciech Marian Czarnecki, Krzysztof Rataj
2015	J	`jnl`	Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT J. Chem. Inf. Model. Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
2015	J	`jnl`	Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study. J. Cheminformatics Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski
2014	J	`jnl`	Impact of Template Choice on Homology Model Efficiency in Virtual Screening. J. Chem. Inf. Model. Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
2013	J	`jnl`	Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity. J. Cheminformatics Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski
2013	J	`jnl`	The importance of template choice in homology modeling. A 5-HT J. Cheminformatics Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski