Gerhard F Ecker

Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 28

Top Venues

Scientific reports

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

Journal of cheminformatics

University of Vienna

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Vienna Aug 01 2011

Austria

University Professor :: Department of Pharmaceutical Chemistry

Publications

Jiahui Huang, Tanja Osthushenrich, Aidan MacNamara, Anders Mälarstig, Silvia Brocchetti, Samuel Bradberry, Lia Scarabottolo, Evandro Ferrada, Sergey Sosnin, Daniela Digles, Giulio Superti-Furga, Gerhard F Ecker
ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction. RSC advances 14 (19) (2024)
Jiahui Huang, Tanja Osthushenrich, Aidan MacNamara, Anders Mälarstig, Silvia Brocchetti, Samuel Bradberry, Lia Scarabottolo, Evandro Ferrada, Sergey Sosnin, Daniela Digles, Giulio Superti-Furga, Gerhard F Ecker
ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction. RSC advances 14 (19) (2024)
Jiahui Huang, Gerhard F Ecker
A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance. Molecules (Basel, Switzerland) 28 (2) (2023)
Karin Grillberger, Eike Cöllen, Claudia Immacolata Trivisani, Jonathan Blum, Marcel Leist, Gerhard F Ecker
Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging. International journal of molecular sciences 24 (17) (2023)
Aljoša Smajić, Iris Rami, Sergey Sosnin, Gerhard F Ecker
Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets. Chemical research in toxicology (2023)
Jiahui Huang, Gerhard F Ecker
A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance. Molecules (Basel, Switzerland) 28 (2) (2023)
Jiahui Huang, Gerhard F Ecker
A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance. Molecules (Basel, Switzerland) 28 (2) (2023)
Doha Naga, Neil Parrott, Gerhard F Ecker, Andres M Olivares-Morales
Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery. Molecular pharmaceutics 19 (7) (2022)
Barbara Füzi, Rahuman S Malik-Sheriff, Emma J Manners, Henning Hermjakob, Gerhard F Ecker
KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study. Journal of cheminformatics 14 (1) (2022)
Anna Cseke, Theresa Schwarz, Sankalp Jain, Simon Decker, Kerstin Vogl, Ernst Urban, Gerhard F Ecker
Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoprotein. Archiv der Pharmazie 353 (3) (2020)
Enrico Girardi, Adrián César-Razquin, Sabrina Lindinger, Konstantinos Papakostas, Justyna Konecka, Jennifer Hemmerich, Stefanie Kickinger, Felix Kartnig, Bettina Gürtl, Kristaps Klavins, Vitaly Sedlyarov, Alvaro Ingles-Prieto, Giuseppe Fiume, Anna Koren, Charles-Hugues Lardeau, Richard Kumaran Kandasamy, Stefan Kubicek, Gerhard F Ecker, Giulio Superti-Furga
A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs. Nature chemical biology 16 (4) (2020)
Ece Asilar, Jennifer Hemmerich, Gerhard F Ecker
Image Based Liver Toxicity Prediction. Journal of chemical information and modeling 60 (3) (2020)
Maria Elena Klibo Lie, Stefanie Kickinger, Jonas Skovgaard-Petersen, Gerhard F Ecker, Rasmus Prætorius Clausen, Arne Schousboe, H Steve White, Petrine Wellendorph
Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects. Neurochemical research 45 (7) (2020)
Doris A Schuetz, Lars Richter, Riccardo Martini, Gerhard F Ecker
A structure-kinetic relationship study using matched molecular pair analysis. RSC medicinal chemistry 11 (11) (2020)
Jennifer Hemmerich, Gerhard F Ecker
In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways. Wiley interdisciplinary reviews. Computational molecular science 10 (4) (2020)
Claire Colas, Giulia Banci, Riccardo Martini, Gerhard F Ecker
Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models. Scientific reports 10 (1) (2020)
Jennifer Hemmerich, Ece Asilar, Gerhard F Ecker
COVER: conformational oversampling as data augmentation for molecules. Journal of cheminformatics 12 (1) (2020)
Stefanie Kickinger, Anas Al-Khawaja, Anne Stæhr Haugaard, Maria E K Lie, Francesco Bavo, Rebekka Löffler, Maria Damgaard, Gerhard F Ecker, Bente Frølund, Petrine Wellendorph
Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors. Scientific reports 10 (1) (2020)
Natesh Singh, Bruno O Villoutreix, Gerhard F Ecker
Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1). Scientific reports 9 (1) (2019)
Mette Ishoey, Someth Chorn, Natesh Singh, Martin G Jaeger, Matthias Brand, Joshiawa Paulk, Sophie Bauer, Michael A Erb, Katja Parapatics, André C Müller, Keiryn L Bennett, Gerhard F Ecker, James E Bradner, Georg E Winter
Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders. ACS chemical biology 13 (3) (2018)
Doris A Schuetz, Thomas Seidel, Arthur Garon, Riccardo Martini, Markus Körbel, Gerhard F Ecker, Thierry Langer
GRAIL: GRids of phArmacophore Interaction fieLds. Journal of chemical theory and computation 14 (9) (2018)
Roger Estrada-Tejedor, Gerhard F Ecker
Predicting drug resistance related to ABC transporters using unsupervised Consensus Self-Organizing Maps. Scientific reports 8 (1) (2018)
David C B Siebert, Marcus Wieder, Lydia Schlener, Petra Scholze, Stefan Boresch, Thierry Langer, Michael Schnürch, Marko D Mihovilovic, Lars Richter, Margot Ernst, Gerhard F Ecker
SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site. Journal of chemical information and modeling 58 (8) (2018)
Doris A Schuetz, Mattia Bernetti, Martina Bertazzo, Djordje Musil, Hans-Michael Eggenweiler, Maurizio Recanatini, Matteo Masetti, Gerhard F Ecker, Andrea Cavalli
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. Journal of chemical information and modeling 59 (1) (2018)
Doris A Schuetz, Lars Richter, Marta Amaral, Melanie Grandits, Ulrich Grädler, Djordje Musil, Hans-Peter Buchstaller, Hans-Michael Eggenweiler, Matthias Frech, Gerhard F Ecker
Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. Journal of medicinal chemistry 61 (10) (2018)
Lars Jørgensen, Anas Al-Khawaja, Stefanie Kickinger, Stine B Vogensen, Jonas Skovgaard-Petersen, Emil Rosenthal, Nrupa Borkar, Rebekka Löffler, Karsten K Madsen, Hans Bräuner-Osborne, Arne Schousboe, Gerhard F Ecker, Petrine Wellendorph, Rasmus Prætorius Clausen
Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/γ-Aminobutyric Acid Transporter 1 (BGT1). Journal of medicinal chemistry 60 (21) (2017)
Eleni Kotsampasakou, Gerhard F Ecker
Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters-An in Silico Modeling Approach. Journal of chemical information and modeling 57 (3) (2017)
Theresa Schwarz, Floriane Montanari, Anna Cseke, Katrin Wlcek, Lene Visvader, Sarah Palme, Peter Chiba, Karl Kuchler, Ernst Urban, Gerhard F Ecker
Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP). ChemMedChem 11 (12) (2016)

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Publication Activity (10 Years)

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Gerhard F Ecker