MetStabOn—Online Platform for Metabolic Stability Predictions

por Podlewska, Sabina, Kafel, Rafał
Publicado 2018

Mutual Support of Ligand- and Structure-Based Approaches—To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors

por Podlewska, Sabina, Kurczab, Rafał
Publicado 2021

From Data to Knowledge: Systematic Review of Tools for Automatic Analysis of Molecular Dynamics Output

por Baltrukevich, Hanna, Podlewska, Sabina
Publicado 2022

How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques

por Sieradzki, Igor, Leśniak, Damian, Podlewska, Sabina
Publicado 2020

How can SHAP values help to shape metabolic stability of chemical compounds?

por Wojtuch, Agnieszka, Jankowski, Rafał, Podlewska, Sabina
Publicado 2021

Generation of new inhibitors of selected cytochrome P450 subtypes– In silico study

por Danel, Tomasz, Wojtuch, Agnieszka, Podlewska, Sabina
Publicado 2022

Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark

por Ciepliński, Tobiasz, Danel, Tomasz, Podlewska, Sabina, Jastrzȩbski, Stanisław
Publicado 2023

Extended study on atomic featurization in graph neural networks for molecular property prediction

por Wojtuch, Agnieszka, Danel, Tomasz, Podlewska, Sabina, Maziarka, Łukasz
Publicado 2023

Robust optimization of SVM hyperparameters in the classification of bioactive compounds

por Czarnecki, Wojciech M, Podlewska, Sabina, Bojarski, Andrzej J
Publicado 2015

Extremely Randomized Machine Learning Methods for Compound Activity Prediction

por Czarnecki, Wojciech M., Podlewska, Sabina, Bojarski, Andrzej J.
Publicado 2015

Substructural Connectivity Fingerprint and Extreme Entropy Machines—A New Method of Compound Representation and Analysis

por Rataj, Krzysztof, Czarnecki, Wojciech, Podlewska, Sabina, Pocha, Agnieszka, Bojarski, Andrzej J.
Publicado 2018

Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimen...

por Podlewska, Sabina, Bugno, Ryszard, Kudla, Lucja, Bojarski, Andrzej J., Przewlocki, Ryszard
Publicado 2020

Three-dimensional descriptors for aminergic GPCRs: dependence on docking conformation and crystal structure

por Jastrzębski, Stanisław, Sieradzki, Igor, Leśniak, Damian, Tabor, Jacek, Bojarski, Andrzej J., Podlewska, Sabina
Publicado 2018

Low Basicity as a Characteristic for Atypical Ligands of Serotonin Receptor 5-HT2

por Podlewska, Sabina, Bugno, Ryszard, Lacivita, Enza, Leopoldo, Marcello, Bojarski, Andrzej J., Handzlik, Jadwiga
Publicado 2021

Multitargeting the Action of 5-HT(6) Serotonin Receptor Ligands by Additional Modulation of Kinases in the Search for a New Therapy for Alzheimer’s Disease: Can It Work from a Mole...

por Czarnota-Łydka, Kinga, Kucwaj-Brysz, Katarzyna, Pyka, Patryk, Haberek, Wawrzyniec, Podlewska, Sabina, Handzlik, Jadwiga
Publicado 2022

Comparison of an Addictive Potential of μ-Opioid Receptor Agonists with G Protein Bias: Behavioral and Molecular Modeling Studies

por Kudla, Lucja, Bugno, Ryszard, Podlewska, Sabina, Szumiec, Lukasz, Wiktorowska, Lucja, Bojarski, Andrzej J., Przewlocki, Ryszard
Publicado 2021

Early Drug Development and Evaluation of Putative Antitubercular Compounds in the -Omics Era

por Minias, Alina, Żukowska, Lidia, Lechowicz, Ewelina, Gąsior, Filip, Knast, Agnieszka, Podlewska, Sabina, Zygała, Daria, Dziadek, Jarosław
Publicado 2021

The Structural Determinants for α(1)-Adrenergic/Serotonin Receptors Activity among Phenylpiperazine-Hydantoin Derivatives

por Kucwaj-Brysz, Katarzyna, Dela, Anna, Podlewska, Sabina, Bednarski, Marek, Siwek, Agata, Satała, Grzegorz, Czarnota, Kinga, Handzlik, Jadwiga, Kieć-Kononowicz, Katarzyna
Publicado 2021

Novel N-Substituted 3-Aryl-4-(diethoxyphosphoryl)azetidin-2-ones as Antibiotic Enhancers and Antiviral Agents in Search for a Successful Treatment of Complex Infections

por Głowacka, Iwona E., Grabkowska-Drużyc, Magdalena, Andrei, Graciela, Schols, Dominique, Snoeck, Robert, Witek, Karolina, Podlewska, Sabina, Handzlik, Jadwiga, Piotrowska, Dorota G.
Publicado 2021

Chalcogen-Varied Imidazolone Derivatives as Antibiotic Resistance Breakers in Staphylococcus aureus Strains

por Witek, Karolina, Kaczor, Aneta, Żesławska, Ewa, Podlewska, Sabina, Marć, Małgorzata Anna, Czarnota-Łydka, Kinga, Nitek, Wojciech, Latacz, Gniewomir, Tejchman, Waldemar, Bischoff, Markus, Jacob, Claus, Handzlik, Jadwiga
Publicado 2023