Explainable Artificial Intelligence for Bioactivity Prediction: Unveiling the Challenges with Curated CDK2/CDK4/CDK6 Breast Cancer Dataset

Authors: Adam Sułek, Jakub Klimczak, Jakub Jonczyk, Tomasz Kościółek, Tomasz Danel, Barbara Pucelik

Research groups: Structural and Functional Genomics Group

EsmTemp - Transfer Learning Approach for Predicting Protein Thermostability

Authors: Adam Sułek, Jakub Jonczyk, Patryk Orzechowski, Ahmed Abdeen Hamed, Marek Wodziński

Research groups: No, Structural and Functional Genomics Group

Multifunctional, Fluorene-Based Modulator of Cholinergic and GABAergic Neurotransmission as a Novel Drug Candidate for Palliative Treatment of Alzheimer's Disease

Authors: Dawid Panek, Anna Pasieka, Jakub Jonczyk, Milena Gawlińska, Paula Zaręba, Agata Siwek, Małgorzata Wolak, Barbara Mordyl, Monika Głuch-Lutwin, Gniewomir Latacz, Xavier Brazzolotto, Fabien Chantegreil, Florian Nachon, Jana Zdarova Karasova, Jaroslav Pejchal, Martin Mzik, Vit Sestak, Lukas Prchal, Jitka Odvarkova, Ondrej Soukup, Jan Korabecny, Ales Sorf, Marie Hamsikova, Lucie Zemanova, Lubica Muckova, Nela Vánova, Pola Dryja, Kinga Sałat, Georg Höfner, Klaus Wanner, Anna Więckowska, Barbara Malawska

Research groups: other

Virtual Screening Approaches to Identify Promising Multitarget-Directed Ligands for the Treatment of Autism Spectrum Disorder

Authors: Jakub Jonczyk, Klaudia Przybylska, Marek Staszewski, Justyna Godyń, Tobias Werner, Monika Stefaniak-Napieralska, Holger Stark, Krzysztof Walczyński, Marek Bajda

Research groups: other

Mining Literature-Based Knowledge Graph for Predicting Combination Therapeutics: A COVID-19 Use Case

Authors: Ahmed Abdeen Hamed, Jakub Jonczyk, Mohammad Zaiyan Alam, Ewa Deelman, Byung Suk Lee

Research groups: other