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dr hab. Sabina Podlewska
dr hab. Sabina Podlewska
+48 12 6623301
smusz@if-pan.krakow.pl
pokój 326 
Zakład Chemii LekówDokonania naukowe
- Publikacje
Optimization of Pharmacokinetic Compound Profile of Ligands of Serotonin Receptor 5-HT7–Application of Machine Learning Methods in Ligand- and Structure-Based Approach
Autorzy: Sabina Podlewska, Rafał Kafel
DOI: 10.3390/ECB2021-10259
Date: 2021-05-31
Mutual Support of Ligand- and Structure-Based Approaches—To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors
Autorzy: Sabina Podlewska, Rafał Kurczab
DOI: 10.3390/molecules26061607
Date: 2021-03-14
Molecular Insights into an Antibiotic Enhancer Action of New Morpholine-Containing 5-Arylideneimidazolones in the Fight against MDR Bacteria
Autorzy: Aneta Kaczor, Karolina Witek, Sabina Podlewska, Veronique Sinou, Joanna Czekajewska, Ewa Żesławska, Agata Doroz-Płonka, Annamaria Lubelska, Gniewomir Latacz, Wojciech Nitek, Markus Bischoff, Sandrine Alibert, Jean-Marie Pagès, Claus Jacob, Elżbieta Karczewska, Jean-Michel Bolla, Jadwiga Handzlik
DOI: 10.3390/ijms22042062
Date: 2021-02-19
Low Basicity as a Characteristic for Atypical Ligands of Serotonin Receptor 5-HT2
Autorzy: Sabina Podlewska, Ryszard Bugno, Enza Lacivita, Marcello Leopoldo, Andrzej J. Bojarski, Jadwiga Handzlik
DOI: 10.3390/ijms22031035
Date: 2021-01-21
Similar, or dissimilar, that is the question. How different are methods for comparison of compounds similarity?
Autorzy: Krzysztof Rajda, Sabina Podlewska
DOI: 10.1016/j.compbiolchem.2020.107367
Date: 2020-10-01
Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimental Data
Autorzy: Sabina Podlewska, Ryszard Bugno, Lucja Kudla, Andrzej Bojarski, Ryszard Przewlocki
DOI: 10.3390/molecules25204636
Date: 2020-10-01
Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening
Autorzy: Stanisław Jastrzębski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska
DOI: 10.1021/acs.jcim.9b01202
Date: 2020-09-28
In silico and in vitro studies on interaction of novel non-imidazole histamine H3R antagonists with CYP3A4
Autorzy: Sabina Podlewska, Gniewomir Latacz, Dorota Łażewska, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
DOI: 10.1016/j.bmcl.2020.127147
Date: 2020-06-01
How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques
Autorzy: Igor Sieradzki, Damian Leśniak, Sabina Podlewska
DOI: 10.3390/molecules25061452
Date: 2020-03-01
Development of New Methods Needs Proper Evaluation—Benchmarking Sets for Machine Learning Experiments for Class A GPCRs
Autorzy: Damian Leśniak, Sabina Podlewska, Stanisław Jastrzębski, Igor Sieradzki, Andrzej J. Bojarski, Jacek Tabor
DOI: 10.1021/acs.jcim.9b00689
Date: 2019-12-23
