Sabina Podlewska
Sabina Podlewska
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Robust optimization of SVM hyperparameters in the classification of bioactive compounds
WM Czarnecki, S Podlewska, AJ Bojarski
Journal of cheminformatics 7 (1), 1-15, 2015
Aminergic gpcr–ligand interactions: A chemical and structural map of receptor mutation data
M Vass, S Podlewska, IJP De Esch, AJ Bojarski, R Leurs, AJ Kooistra, ...
Journal of medicinal chemistry 62 (8), 3784-3839, 2018
Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies
A Matys, S Podlewska, K Witek, J Witek, AJ Bojarski, J Schabikowski, ...
European journal of medicinal chemistry 101, 313-325, 2015
Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation
K Kucwaj-Brysz, D Warszycki, S Podlewska, J Witek, K Witek, ...
European journal of medicinal chemistry 112, 258-269, 2016
Structural modifications of the serotonin 5-HT7 receptor agonist N-(4-cyanophenylmethyl)-4-(2-biphenyl)-1-piperazinehexanamide (LP-211) to improve in vitro microsomal stability …
E Lacivita, S Podlewska, L Speranza, M Niso, G Satała, R Perrone, ...
European journal of medicinal chemistry 120, 363-379, 2016
We should at least be able to design molecules that dock well
T Cieplinski, T Danel, S Podlewska, S Jastrzebski
arXiv preprint arXiv:2006.16955, 2020
Metstabon—online platform for metabolic stability predictions
S Podlewska, R Kafel
International journal of molecular sciences 19 (4), 1040, 2018
Structural insights into serotonin receptor ligands polypharmacology
S Podlewska, R Kafel, E Lacivita, G Satała, AJ Kooistra, M Vass, ...
European journal of medicinal chemistry 151, 797-814, 2018
Creating the new from the old: Combinatorial libraries generation with machine-learning-based compound structure optimization
S Podlewska, WM Czarnecki, R Kafel, AJ Bojarski
Journal of chemical information and modeling 57 (2), 133-147, 2017
Development of new methods needs proper evaluation—benchmarking sets for machine learning experiments for class a GPCRS
D Leśniak, S Podlewska, S Jastrzębski, I Sieradzki, AJ Bojarski, J Tabor
Journal of chemical information and modeling 59 (12), 4974-4992, 2019
Emulating docking results using a deep neural network: a new perspective for virtual screening
S Jastrzębski, M Szymczak, A Pocha, S Mordalski, J Tabor, AJ Bojarski, ...
Journal of Chemical Information and Modeling 60 (9), 4246-4262, 2020
5-arylideneimidazolones with amine at position 3 as potential antibiotic adjuvants against multidrug resistant bacteria
A Kaczor, K Witek, S Podlewska, J Czekajewska, A Lubelska, ...
Molecules 24 (3), 438, 2019
Substructural Connectivity Fingerprint and Extreme Entropy Machines—A New Method of Compound Representation and Analysis
K Rataj, W Czarnecki, S Podlewska, A Pocha, AJ Bojarski
Molecules 23 (6), 1242, 2018
Quo vadis G protein-coupled receptor ligands? A tool for analysis of the emergence of new groups of compounds over time
D Leśniak, S Jastrzębski, S Podlewska, WM Czarnecki, AJ Bojarski
Bioorganic & medicinal chemistry letters 27 (3), 626-631, 2017
Extremely randomized machine learning methods for compound activity prediction
WM Czarnecki, S Podlewska, AJ Bojarski
Molecules 20 (11), 20107-20117, 2015
Structural modifications in the distal, regulatory region of histamine H3 receptor antagonists leading to the identification of a potent anti-obesity agent
K Szczepańska, S Pockes, S Podlewska, C Höring, K Mika, G Latacz, ...
European Journal of Medicinal Chemistry 213, 113041, 2021
Low basicity as a characteristic for atypical ligands of serotonin receptor 5-HT2
S Podlewska, R Bugno, E Lacivita, M Leopoldo, AJ Bojarski, J Handzlik
International Journal of Molecular Sciences 22 (3), 1035, 2021
In silico and in vitro studies on interaction of novel non-imidazole histamine H3R antagonists with CYP3A4
S Podlewska, G Latacz, D Łażewska, K Kieć-Kononowicz, J Handzlik
Bioorganic & medicinal chemistry letters 30 (11), 127147, 2020
Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with …
S Podlewska, R Bugno, L Kudla, AJ Bojarski, R Przewlocki
Molecules 25 (20), 4636, 2020
Three-dimensional descriptors for aminergic GPCRs: dependence on docking conformation and crystal structure
S Jastrzębski, I Sieradzki, D Leśniak, J Tabor, AJ Bojarski, S Podlewska
Molecular diversity 23 (3), 603-613, 2019
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