Krzysztof Rataj

According to our database, Krzysztof Rataj authored at least 12 papers between 2013 and 2020.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2020

Mol-CycleGAN: a generative model for molecular optimization.

Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol

J. Cheminformatics, 2020

Molecule Attention Transformer.

Lukasz Maziarka, Tomasz Danel, Slawomir Mucha, Krzysztof Rataj, Jacek Tabor, Stanislaw Jastrzebski

CoRR, 2020

2019

Mol-CycleGAN - A Generative Model for Molecular Optimization.

Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol

Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, 2019

2018

Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations.

Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski

J. Chem. Inf. Model., 2018

2017

From Homology Models to a Set of Predictive Binding Pockets-a 5-HT_1A Receptor Case Study.

Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski

J. Chem. Inf. Model., 2017

2016

GPCRdb: an information system for G protein-coupled receptors.

Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam

Nucleic Acids Res., 2016

2015

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.

Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski

J. Chem. Inf. Model., 2015

Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study.

Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski

J. Cheminformatics, 2015

Compounds Activity Prediction in Large Imbalanced Datasets with Substructural Relations Fingerprint and EEM.

Wojciech Marian Czarnecki, Krzysztof Rataj

Proceedings of the 2015 IEEE TrustCom/BigDataSE/ISPA, 2015

2014

Impact of Template Choice on Homology Model Efficiency in Virtual Screening.

Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski

J. Chem. Inf. Model., 2014

2013

Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity.

Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski

J. Cheminformatics, 2013

The importance of template choice in homology modeling. A 5-HT₆R case study.

Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski

J. Cheminformatics, 2013