Rafał Kurczab

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 38

Top Topics

Molecular Dynamics Simulations

Machine Learning

Top Venues

Molecules (Basel, Switzerland)

Journal of medicinal chemistry

Journal of chemical information and modeling

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Rafał Kurczab
Halogen Bonding Hot Spots as a Constraint in Virtual Screening: A Case Study of 5-HT 7 R. Journal of medicinal chemistry 67 (16) (2024)
Arkadiusz Leniak, Wojciech Pietruś, Rafał Kurczab
From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties. Journal of chemical information and modeling (2024)
Rafał Kurczab
Halogen Bonding Hot Spots as a Constraint in Virtual Screening: A Case Study of 5-HT 7 R. Journal of medicinal chemistry 67 (16) (2024)
Rafał Kurczab
Halogen Bonding Hot Spots as a Constraint in Virtual Screening: A Case Study of 5-HT 7 R. Journal of medicinal chemistry (2024)
Arkadiusz Leniak, Wojciech Pietruś, Rafał Kurczab
From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties. Journal of chemical information and modeling 64 (8) (2024)
Arkadiusz Leniak, Wojciech Pietruś, Rafał Kurczab
From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties. Journal of chemical information and modeling 64 (8) (2024)
Paweł Śliwa, Magdalena Dziurzyńska, Rafał Kurczab, Katarzyna Kucwaj-Brysz
The Pivotal Distinction between Antagonists' and Agonists' Binding into Dopamine D4 Receptor-MD and FMO/PIEDA Studies. International journal of molecular sciences 25 (2) (2024)
Arkadiusz Leniak, Wojciech Pietruś, Rafał Kurczab
From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties. Journal of chemical information and modeling 64 (8) (2024)
Paweł Śliwa, Magdalena Dziurzyńska, Rafał Kurczab, Katarzyna Kucwaj-Brysz
The Pivotal Distinction between Antagonists' and Agonists' Binding into Dopamine D4 Receptor-MD and FMO/PIEDA Studies. International journal of molecular sciences 25 (2) (2024)
Paweł Śliwa, Magdalena Dziurzyńska, Rafał Kurczab, Katarzyna Kucwaj-Brysz
The Pivotal Distinction between Antagonists' and Agonists' Binding into Dopamine D4 Receptor-MD and FMO/PIEDA Studies. International journal of molecular sciences 25 (2) (2024)
Wojciech Pietruś, Mariola Stypik, Marcin Zagozda, Martyna Banach, Lidia Gurba-Bryśkiewicz, Wioleta Maruszak, Arkadiusz Leniak, Rafał Kurczab, Zbigniew Ochal, Krzysztof Dubiel, Maciej Wieczorek
Tuning the Biological Activity of PI3K δ Inhibitor by the Introduction of a Fluorine Atom Using the Computational Workflow. Molecules (Basel, Switzerland) 28 (8) (2023)
Wojciech Pietruś, Mariola Stypik, Marcin Zagozda, Martyna Banach, Lidia Gurba-Bryśkiewicz, Wioleta Maruszak, Arkadiusz Leniak, Rafał Kurczab, Zbigniew Ochal, Krzysztof Dubiel, Maciej Wieczorek
Tuning the Biological Activity of PI3K δ Inhibitor by the Introduction of a Fluorine Atom Using the Computational Workflow. Molecules (Basel, Switzerland) 28 (8) (2023)
Wojciech Pietruś, Mariola Stypik, Marcin Zagozda, Martyna Banach, Lidia Gurba-Bryśkiewicz, Wioleta Maruszak, Arkadiusz Leniak, Rafał Kurczab, Zbigniew Ochal, Krzysztof Dubiel, Maciej Wieczorek
Tuning the Biological Activity of PI3K δ Inhibitor by the Introduction of a Fluorine Atom Using the Computational Workflow. Molecules (Basel, Switzerland) 28 (8) (2023)
Wojciech Pietruś, Mariola Stypik, Marcin Zagozda, Martyna Banach, Lidia Gurba-Bryśkiewicz, Wioleta Maruszak, Arkadiusz Leniak, Rafał Kurczab, Zbigniew Ochal, Krzysztof Dubiel, Maciej Wieczorek
Tuning the Biological Activity of PI3K δ Inhibitor by the Introduction of a Fluorine Atom Using the Computational Workflow. Molecules (Basel, Switzerland) 28 (8) (2023)
Katarzyna Grychowska, Wojciech Pietruś, Ludmiła Kulawik, Ophélie Bento, Grzegorz Satała, Xavier Bantreil, Frédéric Lamaty, Andrzej J Bojarski, Joanna Golebiowska, Agnieszka Nikiforuk, Philippe Marin, Séverine Chaumont-Dubel, Rafał Kurczab, Paweł Zajdel
Impact of the Substitution Pattern at the Basic Center and Geometry of the Amine Fragment on 5-HT 6 and D 3 R Affinity in the 1 H -Pyrrolo[3,2- c ]quinoline Series. Molecules (Basel, Switzerland) 28 (3) (2023)
Katarzyna Grychowska, Wojciech Pietruś, Ludmiła Kulawik, Ophélie Bento, Grzegorz Satała, Xavier Bantreil, Frédéric Lamaty, Andrzej J Bojarski, Joanna Golebiowska, Agnieszka Nikiforuk, Philippe Marin, Séverine Chaumont-Dubel, Rafał Kurczab, Paweł Zajdel
Impact of the Substitution Pattern at the Basic Center and Geometry of the Amine Fragment on 5-HT 6 and D 3 R Affinity in the 1 H -Pyrrolo[3,2- c ]quinoline Series. Molecules (Basel, Switzerland) 28 (3) (2023)
Wojciech Pietruś, Rafał Kurczab, Dawid Warszycki, Andrzej J Bojarski, Jürgen Bajorath
Isomeric Activity Cliffs-A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor Ligands. Molecules (Basel, Switzerland) 28 (2) (2023)
Wojciech Pietruś, Rafał Kurczab, Dawid Warszycki, Andrzej J Bojarski, Jürgen Bajorath
Isomeric Activity Cliffs-A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor Ligands. Molecules (Basel, Switzerland) 28 (2) (2023)
Katarzyna Grychowska, Wojciech Pietruś, Ludmiła Kulawik, Ophélie Bento, Grzegorz Satała, Xavier Bantreil, Frédéric Lamaty, Andrzej J Bojarski, Joanna Golebiowska, Agnieszka Nikiforuk, Philippe Marin, Séverine Chaumont-Dubel, Rafał Kurczab, Paweł Zajdel
Impact of the Substitution Pattern at the Basic Center and Geometry of the Amine Fragment on 5-HT 6 and D 3 R Affinity in the 1 H -Pyrrolo[3,2- c ]quinoline Series. Molecules (Basel, Switzerland) 28 (3) (2023)
Wojciech Pietruś, Rafał Kurczab, Dawid Warszycki, Andrzej J Bojarski, Jürgen Bajorath
Isomeric Activity Cliffs-A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor Ligands. Molecules (Basel, Switzerland) 28 (2) (2023)
Wojciech Pietruś, Rafał Kurczab, Dawid Warszycki, Andrzej J Bojarski, Jürgen Bajorath
Isomeric Activity Cliffs-A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor Ligands. Molecules (Basel, Switzerland) 28 (2) (2023)
Emilia Kuzniak, Michał Glanowski, Rafał Kurczab, Andrzej J Bojarski, Robert Podgajny
Mining anion-aromatic interactions in the Protein Data Bank. Chemical science 13 (14) (2022)
Magdalena Świądro-Piętoń, Kai A Morawiec, Anna Wójtowicz, Sara Świądro, Rafał Kurczab, Dominika Dudek, Renata Wietecha-Posłuszny
Fast and Noninvasive Hair Test for Preliminary Diagnosis of Mood Disorders. Molecules (Basel, Switzerland) 27 (16) (2022)
Wojciech Pietruś, Rafał Kafel, Andrzej J Bojarski, Rafał Kurczab
Hydrogen Bonds with Fluorine in Ligand-Protein Complexes-the PDB Analysis and Energy Calculations. Molecules (Basel, Switzerland) 27 (3) (2022)
Sabina Podlewska, Rafał Kurczab
Mutual Support of Ligand- and Structure-Based Approaches-To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors. Molecules (Basel, Switzerland) 26 (6) (2021)
Wojciech Pietruś, Rafał Kurczab, Dagmar Stumpfe, Andrzej J Bojarski, Jürgen Bajorath
Data-Driven Analysis of Fluorination of Ligands of Aminergic G Protein Coupled Receptors. Biomolecules 11 (11) (2021)
Paweł Zajdel, Katarzyna Grychowska, Szczepan Mogilski, Rafał Kurczab, Grzegorz Satała, Ryszard Bugno, Tomasz Kos, Joanna Gołębiowska, Natalia Malikowska-Racia, Agnieszka Nikiforuk, Séverine Chaumont-Dubel, Xavier Bantreil, Maciej Pawłowski, Jean Martínez, Gilles Subra, Frédéric Lamaty, Philippe Marin, Andrzej J Bojarski, Piotr Popik
Structure-Based Design and Optimization of FPPQ, a Dual-Acting 5-HT3 and 5-HT6 Receptor Antagonist with Antipsychotic and Procognitive Properties. Journal of medicinal chemistry 64 (18) (2021)
Agata Hogendorf, Adam S Hogendorf, Rafał Kurczab, Grzegorz Satała, Bernadeta Szewczyk, Paulina Cieślik, Gniewomir Latacz, Jadwiga Handzlik, Tomasz Lenda, Katarzyna Kaczorowska, Jakub Staroń, Ryszard Bugno, Beata Duszyńska, Andrzej J Bojarski
N-Skatyltryptamines-Dual 5-HT6R/D2R Ligands with Antipsychotic and Procognitive Potential. Molecules (Basel, Switzerland) 26 (15) (2021)
Marcin Drop, Vittorio Canale, Séverine Chaumont-Dubel, Rafał Kurczab, Grzegorz Satała, Xavier Bantreil, Maria Walczak, Paulina Koczurkiewicz, Gniewomir Latacz, Anna Gwizdak, Martyna Krawczyk, Joanna Gołębiowska, Katarzyna Grychowska, Andrzej J Bojarski, Agnieszka Nikiforuk, Gilles Subra, Jean Martínez, Maciej Pawłowski, Piotr Popik, Philippe Marin, Frédéric Lamaty, Paweł Zajdel
2-Phenyl-1H-pyrrole-3-carboxamide as a New Scaffold for Developing 5-HT6 Receptor Inverse Agonists with Cognition-Enhancing Activity. ACS chemical neuroscience 12 (7) (2021)
Dawid Warszycki, Łukasz Struski, Marek Śmieja, Rafał Kafel, Rafał Kurczab
Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design. Journal of chemical information and modeling 61 (10) (2021)
David Vanda, Vittorio Canale, Séverine Chaumont-Dubel, Rafał Kurczab, Grzegorz Satała, Paulina Koczurkiewicz, Martyna Krawczyk, Wojciech Pietruś, Klaudia Blicharz, Elżbieta Pękala, Andrzej J Bojarski, Piotr Popik, Philippe Marin, Miroslav Soural, Paweł Zajdel
Imidazopyridine-Based 5-HT6 Receptor Neutral Antagonists: Impact of N1-Benzyl and N1-Phenylsulfonyl Fragments on Different Receptor Conformational States. Journal of medicinal chemistry 64 (2) (2021)
Kornelia Czaja, Jacek Kujawski, Paweł Śliwa, Rafał Kurczab, Radosław Kujawski, Anna Stodolna, Agnieszka Myślińska, Marek K Bernard
Theoretical Investigations on Interactions of Arylsulphonyl Indazole Derivatives as Potential Ligands of VEGFR2 Kinase. International journal of molecular sciences 21 (13) (2020)
Katarzyna Grychowska, Severine Chaumont-Dubel, Rafał Kurczab, Paulina Koczurkiewicz, Caroline Deville, Martyna Krawczyk, Wojciech Pietruś, Grzegorz Satała, Szymon Buda, Kamil Piska, Marcin Drop, Xavier Bantreil, Frédéric Lamaty, Elżbieta Pękala, Andrzej J Bojarski, Piotr Popik, Philippe Marin, Paweł Zajdel
Dual 5-HT6 and D3 Receptor Antagonists in a Group of 1H-Pyrrolo[3,2-c]quinolines with Neuroprotective and Procognitive Activity. ACS chemical neuroscience 10 (7) (2019)
Katarzyna Kucwaj-Brysz, Rafał Kurczab, Ewa Żesławska, Annamaria Lubelska, Małgorzata Anna Marć, Gniewomir Latacz, Grzegorz Satała, Wojciech Nitek, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
The role of aryl-topology in balancing between selective and dual 5-HT7R/5-HT1A actions of 3,5-substituted hydantoins. MedChemComm 9 (6) (2018)
Joanna Kurek, Patrycja Kwaśniewska-Sip, Krzysztof Myszkowski, Grzegorz Cofta, Marek Murias, Piotr Barczyński, Beata Jasiewicz, Rafał Kurczab
7-Deacetyl-10-alkylthiocolchicine derivatives - new compounds with potent anticancer and fungicidal activity. MedChemComm 9 (10) (2018)
Rafał Kurczab, Paweł Śliwa, Krzysztof Rataj, Rafał Kafel, Andrzej J Bojarski
Salt Bridge in Ligand-Protein Complexes-Systematic Theoretical and Statistical Investigations. Journal of chemical information and modeling 58 (11) (2018)
Rafał Kurczab, Vittorio Canale, Grzegorz Satała, Paweł Zajdel, Andrzej J Bojarski
Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT7 Receptor. Journal of medicinal chemistry 61 (19) (2018)
Rafał Kurczab, Andrzej J Bojarski
The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening. PloS one 12 (4) (2017)