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

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

Research groups: Structural and Functional Genomics Group

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

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

Research groups: other

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

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

Research groups: other

EsmTemp - Transfer Learning Approach for Predicting Protein Thermostability

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

Research groups: No, Structural and Functional Genomics Group

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

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

Research groups: other