Gerhard F Ecker
Universität Wien
H-index: 57
Europe-Austria
Top articles of Gerhard F Ecker
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Bioactivity descriptors for in vivo toxicity prediction: now and the future | Palle Helmke Barbara Füzi Gerhard F Ecker | 2024/3/24 | |
The macrocycle inhibitor landscape of SLC‐transporter | Molecular Informatics | Nejra Granulo Sergey Sosnin Daniela Digles Gerhard F Ecker | 2024/1/30 |
Experimental and computational analysis of newly identified pathogenic mutations in the creatine transporter SLC6A8 | Journal of Molecular Biology | Evandro Ferrada Tabea Wiedmer Wen-An Wang Fabian Frommelt Barbara Steurer | 2024/1/15 |
ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction | RSC advances | Jiahui Huang Tanja Osthushenrich Aidan MacNamara Anders Mälarstig Silvia Brocchetti | 2024 |
Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging | International Journal of Molecular Sciences | Karin Grillberger Eike Cöllen Claudia Immacolata Trivisani Jonathan Blum Marcel Leist | 2023/8/24 |
Systematic screening identifies ABCG2 as critical factor underlying synergy of kinase inhibitors with transcriptional CDK inhibitors | Breast Cancer Research | Vera E van der Noord Wanda van der Stel Gijs Louwerens Danielle Verhoeven Hendrik J Kuiken | 2023/5/5 |
Paralog-dependent isogenic cell assay cascade generates highly selective SLC16A3 inhibitors | Cell Chemical Biology | Vojtech Dvorak Andrea Casiraghi Claire Colas Anna Koren Tatjana Tomek | 2023/8/17 |
A structure-based view on ABC-transporter linked to multidrug resistance | Jiahui Huang Gerhard F Ecker | 2023/1/4 | |
eTRANSAFE: data science to empower translational safety assessment | Ferran Sanz François Pognan Thomas Steger-Hartmann Carlos Díaz Shoji Asakura | 2023/8 | |
Identifying differences in the performance of machine learning models for off-targets trained on publicly available and proprietary data sets | Chemical Research in Toxicology | Aljoša Smajić Iris Rami Sergey Sosnin Gerhard F Ecker | 2023/7/13 |
Toxicity prediction using target, interactome, and pathway profiles as descriptors | Toxicology Letters | Barbara Füzi Neann Mathai Johannes Kirchmair Gerhard F Ecker | 2023/5/15 |
Privacy-preserving techniques for decentralized and secure machine learning in drug discovery | Aljoša Smajić Melanie Grandits Gerhard F Ecker | 2023/11/5 | |
Ligand-and Structure-based Approaches for Transmembrane Transporter Modeling. | Melanie Grandits Gerhard F Ecker | 2023/5/8 | |
Evaluation of the success of high-throughput physiologically based pharmacokinetic (HT-PBPK) modeling predictions to inform early drug discovery | Molecular Pharmaceutics | Doha Naga Neil Parrott Gerhard F Ecker Andrés Olivares-Morales | 2022/4/27 |
Exploration of potential MIE interactions of neonicotinoid pesticides and relevant metabolites by molecular docking to human nicotinic acetylcholine receptors (nAChRs) | American Chemical Society SciMeetings | Grillberger Karin Dominik Loser Jonathan Blum Marcel Leist Susanne Hougaard Bennekou | 2022/8/18 |
CACHE (Critical Assessment of Computational Hit-finding Experiments): a public–private partnership benchmarking initiative to enable the development of computational methods … | Suzanne Ackloo Rima Al-Awar Rommie E Amaro Cheryl H Arrowsmith Hatylas Azevedo | 2022/4 | |
Using Jupyter Notebooks for re-training machine learning models | Journal of Cheminformatics | Aljoša Smajić Melanie Grandits Gerhard F Ecker | 2022/8/13 |
Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery | European Journal of Pharmaceutics and Biopharmaceutics | Simon Decker Alexander Taschauer Emanuela Geppl Viktoria Pirhofer Michael Schauer | 2022/7/1 |
The hepatocyte export carrier inhibition assay improves the separation of hepatotoxic from non-hepatotoxic compounds | Chemico-biological interactions | Tim Brecklinghaus Wiebke Albrecht Franziska Kappenberg Julia Duda Nachiket Vartak | 2022/1/5 |
POLθ processes ssDNA gaps and promotes replication fork progression in BRCA1-deficient cells | Cell Reports | Anna Schrempf Sara Bernardo Emili A Arasa Verge Miguel A Ramirez Otero Jordan Wilson | 2022/11/29 |
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