Mol-CycleGAN: a generative model for molecular optimization
Maziarka, Łukasz, Pocha, Agnieszka, Kaczmarczyk, Jan, Rataj, Krzysztof, Danel, Tomasz, Warchoł, Michał
Published in Journal of cheminformatics (08.01.2020)
Published in Journal of cheminformatics (08.01.2020)
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GPCRdb: an information system for G protein-coupled receptors
Isberg, Vignir, Mordalski, Stefan, Munk, Christian, Rataj, Krzysztof, Harpsøe, Kasper, Hauser, Alexander S, Vroling, Bas, Bojarski, Andrzej J, Vriend, Gert, Gloriam, David E
Published in Nucleic acids research (04.01.2016)
Published in Nucleic acids research (04.01.2016)
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Journal Article
GPCRdb: an information system for G protein-coupled receptors
Isberg, Vignir, Mordalski, Stefan, Munk, Christian, Rataj, Krzysztof, Harpsøe, Kasper, Hauser, Alexander S, Vroling, Bas, Bojarski, Andrzej J, Vriend, Gert, Gloriam, David E
Published in Nucleic acids research (17.03.2017)
Published in Nucleic acids research (17.03.2017)
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Corrigendum to “Decoding phenotypic screening: A comparative analysis of image representations” [Computat Struct Biotechnol J 23 (2024) 1181-1188]
Borowa, Adriana, Rymarczyk, Dawid, Żyła, Marek, Kańduła, Maciej, Sánchez-Fernández, Ana, Rataj, Krzysztof, Struski, Łukasz, Tabor, Jacek, Zieliński, Bartosz
Published in Computational and structural biotechnology journal (01.12.2024)
Published in Computational and structural biotechnology journal (01.12.2024)
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Journal Article
Substructural Connectivity Fingerprint and Extreme Entropy Machines-A New Method of Compound Representation and Analysis
Rataj, Krzysztof, Czarnecki, Wojciech, Podlewska, Sabina, Pocha, Agnieszka, Bojarski, Andrzej J
Published in Molecules (Basel, Switzerland) (23.05.2018)
Published in Molecules (Basel, Switzerland) (23.05.2018)
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Journal Article
Decoding phenotypic screening: A comparative analysis of image representations
Borowa, Adriana, Rymarczyk, Dawid, Żyła, Marek, Kańduła, Maciej, Sánchez-Fernández, Ana, Rataj, Krzysztof, Struski, Łukasz, Tabor, Jacek, Zieliński, Bartosz
Published in Computational and structural biotechnology journal (01.12.2024)
Published in Computational and structural biotechnology journal (01.12.2024)
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Journal Article
Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT2BR Ligands
Rataj, Krzysztof, Kelemen, Ádám, Brea, José, Loza, María, Bojarski, Andrzej, Keserű, György
Published in Molecules (Basel, Switzerland) (10.05.2018)
Published in Molecules (Basel, Switzerland) (10.05.2018)
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Journal Article
Corrigendum to "Decoding phenotypic screening: A comparative analysis of image representations" Computat Struct Biotechnol J 23 (2024) 1181-1188
Borowa, Adriana, Rymarczyk, Dawid, Żyła, Marek, Kańduła, Maciej, Sánchez-Fernández, Ana, Rataj, Krzysztof, Struski, Łukasz, Tabor, Jacek, Zieliński, Bartosz
Published in Computational and structural biotechnology journal (01.12.2024)
Published in Computational and structural biotechnology journal (01.12.2024)
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Journal Article
From Homology Models to a Set of Predictive Binding Pockets–a 5‑HT1A Receptor Case Study
Warszycki, Dawid, Rueda, Manuel, Mordalski, Stefan, Kristiansen, Kurt, Satała, Grzegorz, Rataj, Krzysztof, Chilmonczyk, Zdzisław, Sylte, Ingebrigt, Abagyan, Ruben, Bojarski, Andrzej J
Published in Journal of chemical information and modeling (27.02.2017)
Published in Journal of chemical information and modeling (27.02.2017)
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Journal Article
Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning MethodsA Case Study of Serotonin Receptors 5‑HT6 and 5‑HT7
Smusz, Sabina, Mordalski, Stefan, Witek, Jagna, Rataj, Krzysztof, Kafel, Rafał, Bojarski, Andrzej J
Published in Journal of chemical information and modeling (27.04.2015)
Published in Journal of chemical information and modeling (27.04.2015)
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Journal Article
Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT^sub 6^ and 5-HT^sub 7
Smusz, Sabina, Mordalski, Stefan, Witek, Jagna, Rataj, Krzysztof, Kafel, Rafal, Bojarski, Andrzej J
Published in Journal of chemical information and modeling (27.04.2015)
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Published in Journal of chemical information and modeling (27.04.2015)
Journal Article
Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods—A Case Study of Serotonin Receptors 5-HT 6 and 5-HT 7
Smusz, Sabina, Mordalski, Stefan, Witek, Jagna, Rataj, Krzysztof, Kafel, Rafał, Bojarski, Andrzej J.
Published in Journal of chemical information and modeling (27.04.2015)
Published in Journal of chemical information and modeling (27.04.2015)
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Journal Article
From Homology Models to a Set of Predictive Binding Pockets-a 5-HT^sub 1A^ Receptor Case Study
Warszycki, Dawid, Rueda, Manuel, Mordalski, Stefan, Kristiansen, Kurt, Satala, Grzegorz, Rataj, Krzysztof, Chilmonczyk, Zdzislaw, Sylte, Ingebrigt, Abagyan, Ruben, Bojarski, Andrzej J
Published in Journal of chemical information and modeling (27.02.2017)
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Published in Journal of chemical information and modeling (27.02.2017)
Journal Article
From Homology Models to a Set of Predictive Binding Pockets-a 5-HT 1A Receptor Case Study
Warszycki, Dawid, Rueda, Manuel, Mordalski, Stefan, Kristiansen, Kurt, Satała, Grzegorz, Rataj, Krzysztof, Chilmonczyk, Zdzisław, Sylte, Ingebrigt, Abagyan, Ruben, Bojarski, Andrzej J
Published in Journal of chemical information and modeling (27.02.2017)
Published in Journal of chemical information and modeling (27.02.2017)
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Journal Article
Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study
Mordalski, Stefan, Witek, Jagna, Smusz, Sabina, Rataj, Krzysztof, Bojarski, Andrzej J
Published in Journal of cheminformatics (09.04.2015)
Published in Journal of cheminformatics (09.04.2015)
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