Gerhard Ecker
#133,886
Most Influential Person Now
Austrian medicinal chemist and Professor
Gerhard Ecker's AcademicInfluence.com Rankings
Gerhard Eckerchemistry Degrees
Chemistry
#4464
World Rank
#5547
Historical Rank
Organic Chemistry
#940
World Rank
#1056
Historical Rank
Download Badge
Chemistry
Gerhard Ecker's Degrees
- PhD Pharmaceutical Chemistry University of Vienna
Why Is Gerhard Ecker Influential?
(Suggest an Edit or Addition)According to Wikipedia, Gerhard F. Ecker is an Austrian medicinal chemist and expert in the fields of Pharmacoinformatics at the University of Vienna, where he is the Professor for Pharmacoinformatics and Head of the Pharmacoinformatics Research Group at the Department of Medicinal Chemistry. He also coordinates the research focus "Computational Life Sciences" of the Faculty of Life Sciences.
Gerhard Ecker's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Coexistence of passive and carrier-mediated processes in drug transport (2010) (525)
- Open PHACTS: semantic interoperability for drug discovery. (2012) (300)
- On the Relationship Between Feature Selection and Classification Accuracy (2008) (294)
- Resveratrol analogues as selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationship. (2004) (274)
- Adverse outcome pathways: opportunities, limitations and open questions (2017) (245)
- Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands. (2012) (176)
- Kinetics for Drug Discovery: an industry-driven effort to target drug residence time. (2017) (145)
- Prediction of drug–ABC-transporter interaction — Recent advances and future challenges☆ (2015) (144)
- The N Terminus of Monoamine Transporters Is a Lever Required for the Action of Amphetamines* (2010) (128)
- P-Glycoprotein Substrate Binding Domains Are Located at the Transmembrane Domain/Transmembrane Domain Interfaces: A Combined Photoaffinity Labeling-Protein Homology Modeling Approach (2005) (121)
- The importance of a nitrogen atom in modulators of multidrug resistance. (1999) (116)
- State-dependent dissociation of HERG channel inhibitors (2007) (105)
- Evidence-based approach to assess passive diffusion and carrier-mediated drug transport. (2012) (105)
- Passive lipoidal diffusion and carrier-mediated cell uptake are both important mechanisms of membrane permeation in drug disposition. (2014) (98)
- Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders. (2018) (92)
- Reversal of antifungal resistance mediated by ABC efflux pumps from Candida albicans functionally expressed in yeast. (2003) (90)
- Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters☆ (2014) (88)
- Structural requirements for activity of propafenone-type modulators in P-glycoprotein-mediated multidrug resistance. (1996) (87)
- Structure–Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein (2012) (86)
- A novel flow based hollow-fiber blood-brain barrier in vitro model with immortalised cell line PBMEC/C1-2. (2006) (86)
- Ligand and Structure-Based Classification Models for Prediction of P-Glycoprotein Inhibitors (2013) (84)
- A binary QSAR model for classification of hERG potassium channel blockers. (2008) (76)
- Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1 (2018) (75)
- Substituted 4-acylpyrazoles and 4-acylpyrazolones: synthesis and multidrug resistance-modulating activity. (1998) (75)
- Structural Studies of GABAA Receptor Binding Sites: Which Experimental Structure Tells us What? (2016) (75)
- Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein (2011) (73)
- ‘Second-Generation’ Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function (2015) (72)
- Structure-activity relationship studies of propafenone analogs based on P-glycoprotein ATPase activity measurements. (1999) (71)
- In silico prediction models for blood-brain barrier permeation. (2004) (71)
- Computational models for prediction of interactions with ABC-transporters. (2008) (71)
- Mutational Analysis of the High-Affinity Zinc Binding Site Validates a Refined Human Dopamine Transporter Homology Model (2013) (67)
- The high-affinity binding site for tricyclic antidepressants resides in the outer vestibule of the serotonin transporter (2010) (67)
- An updated unified pharmacophore model of the benzodiazepine binding site on gamma-aminobutyric acid(a) receptors: correlation with comparative models. (2007) (66)
- Lead Identification for Modulators of Multidrug Resistance based on in silico Screening with a Pharmacophoric Feature Model (2004) (62)
- Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate (2013) (62)
- Synthesis and in vitro multidrug resistance modulating activity of a series of dihydrobenzopyrans and tetrahydroquinolines. (1999) (58)
- Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors (2012) (58)
- Synthesis, pharmacologic activity, and structure-activity relationships of a series of propafenone-related modulators of multidrug resistance. (1995) (54)
- Modulation of GABAA-receptors by honokiol and derivatives: subtype selectivity and structure-activity relationship. (2011) (53)
- Future directions for drug transporter modelling (2007) (53)
- A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs (2019) (53)
- Structure-activity relationship studies on benzofuran analogs of propafenone-type modulators of tumor cell multidrug resistance. (1996) (52)
- Legacy data sharing to improve drug safety assessment: the eTOX project (2017) (52)
- Efficient Modulation of γ-Aminobutyric Acid Type A Receptors by Piperine Derivatives (2014) (51)
- Self-organizing maps for identification of new inhibitors of P-glycoprotein. (2007) (51)
- Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics (2018) (51)
- Identification of ligand-binding regions of P-glycoprotein by activated-pharmacophore photoaffinity labeling and matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry. (2002) (50)
- Molecular Dissection of Dual Pseudosymmetric Solute Translocation Pathways in Human P-Glycoprotein (2011) (50)
- Scientific competency questions as the basis for semantically enriched open pharmacological space development. (2013) (50)
- Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property Predictions (2014) (46)
- Identification of novel positive allosteric modulators and null modulators at the GABAA receptor α+β− interface (2013) (45)
- Predicting drug-induced liver injury: The importance of data curation (2017) (44)
- Data‐driven homology modelling of P‐glycoprotein in the ATP‐bound state indicates flexibility of the transmembrane domains (2009) (43)
- Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters (2016) (42)
- The RESOLUTE consortium: unlocking SLC transporters for drug discovery (2020) (41)
- Inhibitors of p-glycoprotein--lead identification and optimisation. (2005) (41)
- In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways (2020) (40)
- Insights into structure-activity relationship of GABAA receptor modulating coumarins and furanocoumarins. (2011) (40)
- Multispecificity of Drug Transporters: Probing Inhibitor Selectivity for the Human Drug Efflux Transporters ABCB1 and ABCG2 (2007) (40)
- A Combined Hansch/Free‐Wilson Approach as Predictive Tool in QSAR Studies on Propafenone‐Type Modulators of Multidrug Resistance (1998) (39)
- In silico prediction of substrate properties for ABC-multidrug transporters (2008) (38)
- Predictive models for HERG channel blockers: ligand-based and structure-based approaches. (2007) (38)
- Inhibitory activity of prostaglandin E2 production by the synthetic 2'-hydroxychalcone analogues: Synthesis and SAR study. (2009) (38)
- Similarity-based SIBAR descriptors for classification of chemically diverse hERG blockers (2009) (37)
- Synthesis and antitumor-evaluation of cyclopropyl-containing combretastatin analogs. (2009) (35)
- Predicting Ligand Interactions with ABC Transporters in ADME (2009) (34)
- Development of an in vitro blood-brain barrier model based on immortalized porcine brain microvascular endothelial cells. (2004) (34)
- Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein. (2014) (33)
- Identification of Novel Inhibitors of Organic Anion Transporting Polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) Using a Consensus Vote of Six Classification Models (2015) (33)
- Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity (2018) (33)
- The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research (2014) (31)
- Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3. (2015) (31)
- Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods (2018) (30)
- Classification Models for hERG Inhibitors by Counter‐Propagation Neural Networks (2008) (30)
- Annotating Human P-Glycoprotein Bioassay Data (2012) (30)
- Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. (2018) (30)
- Similarity based SAR (SIBAR) as tool for early ADME profiling (2002) (30)
- A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on γ-Aminobutyric Acid Transporter 1 (GAT1) (2015) (30)
- Structure-activity-relationship studies on modulators of the multidrug transporter P-glycoprotein--an overview. (1995) (28)
- Molecular analysis of the site for 2‐arachidonylglycerol (2‐AG) on the β2 subunit of GABAA receptors (2013) (27)
- Topological Distance Based 3D Descriptors for Use in QSAR and Diversity Analysis (2004) (26)
- Structure activity relationship of selective GABA uptake inhibitors. (2015) (26)
- Impact of the Recent Mouse P‐Glycoprotein Structure for Structure‐Based Ligand Design (2010) (25)
- Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters—An in Silico Modeling Approach (2017) (24)
- BCRP Inhibition: from Data Collection to Ligand‐Based Modeling (2014) (24)
- Self‐Organizing Maps for In Silico Screening and Data Visualization (2011) (24)
- Pore-Exposed Tyrosine Residues of P-Glycoprotein Are Important Hydrogen-Bonding Partners for Drugs (2014) (24)
- Targeting drug-efflux pumps -- a pharmacoinformatic approach. (2005) (23)
- Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning (2016) (23)
- A Three-Dimensional Model for the Substrate Binding Domain of the Multidrug ATP Binding Cassette Transporter LmrA (2004) (23)
- Flagging Drugs That Inhibit the Bile Salt Export Pump. (2016) (23)
- Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors (2016) (22)
- Predictive QSAR Models for Polyspecific Drug Targets: The Importance of Feature Selection (2008) (21)
- Ensemble Rule‐Based Classification of Substrates of the Human ABC‐Transporter ABCB1 Using Simple Physicochemical Descriptors (2010) (21)
- Pharmacoinformatic approaches to design natural product type ligands of ABC-transporters. (2010) (21)
- Medicinal chemistry in the era of big data. (2015) (21)
- The hERG Potassium Channel and Drug Trapping: Insight from Docking Studies with Propafenone Derivatives (2010) (21)
- Studies on Propafenone‐type Modulators of Multidrug Resistance III: Variations on the Nitrogen (1997) (20)
- Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1) (2019) (20)
- Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site (2015) (20)
- An In Silico Classification Model for Putative ABCC2 Substrates (2012) (19)
- Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project (2015) (19)
- Structural and molecular aspects of betaine-GABA transporter 1 (BGT1) and its relation to brain function (2019) (19)
- Functional alterations by a subgroup of neonicotinoid pesticides in human dopaminergic neurons (2021) (18)
- 2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3,4b][1,4]-oxazines as inhibitors of the multidrug transporter P-glycoprotein (2013) (18)
- para-Trifluoromethyl-methcathinone is an allosteric modulator of the serotonin transporter (2019) (17)
- COVER: conformational oversampling as data augmentation for molecules (2020) (17)
- Exploiting open data: a new era in pharmacoinformatics. (2014) (17)
- ATP modulates SLC7A5 (LAT1) synergistically with cholesterol (2020) (16)
- 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) (2016) (16)
- Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP (2017) (16)
- Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling (2013) (15)
- Homology model of the multidrug transporter LmrA from Lactococcus lactis. (2004) (15)
- In silico screening with benzofurane- and benzopyrane-type MDR-modulators. (2003) (15)
- Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/γ-Aminobutyric Acid Transporter 1 (BGT1). (2017) (15)
- Inhibitors of ABC-type drug efflux pumps: an overview of the current patent situation (2004) (15)
- In silico prediction of substrate properties for ABC-multidrug transporters. (2008) (15)
- Role of transmembrane domain/transmembrane domain interfaces of P-glycoprotein (ABCB1) in solute transport. Convergent information from photoaffinity labeling, site directed mutagenesis and in silico importance prediction. (2006) (15)
- A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes (2016) (15)
- The ABC of Phytohormone Translocation (2015) (14)
- Random Mutagenesis of the Prokaryotic Peptide Transporter YdgR Identifies Potential Periplasmic Gating Residues* (2011) (14)
- Computational models for predicting the interaction with ABC transporters. (2014) (14)
- Similarity‐Based Descriptors (SIBAR) as Tool for QSAR Studies on P‐Glycoprotein Inhibitors: Influence of the Reference Set (2007) (14)
- Interaction field based and hologram based QSAR analysis of propafenone-type modulators of multidrug resistance. (2005) (13)
- Studies on Propafenone‐type Modulators of Multidrug‐Resistance IV : Synthesis and Pharmacological Activity of 5‐Hydroxy and 5‐Benzyloxy Derivatives (1997) (13)
- Probing the Stereoselectivity of P‐Glycoprotein—Synthesis, Biological Activity and Ligand Docking Studies of a Set of Enantiopure Benzopyrano[3,4‐b][1,4]oxazines. (2011) (13)
- A multivariate approach linking reported side effects of clinical antidepressant and antipsychotic trials to in vitro binding affinities (2014) (13)
- GRAIL: GRids of phArmacophore Interaction fieLds. (2018) (13)
- Synthesis, spasmolytic activity and structure-activity relationship study of a series of polypharmacological thiobenzanilides. (2011) (13)
- A structural model of the human serotonin transporter in an outward-occluded state (2019) (13)
- Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses (2004) (12)
- Synthesis and pharmacological activity of the stereoisomers of GP-88, a propafenone-type modulator of multidrug resistance. (1998) (12)
- Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling (2013) (12)
- Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines. (2011) (12)
- Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models (2020) (12)
- Vienna LiverTox Workspace—A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies (2020) (12)
- Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening (2015) (11)
- Intramolecular Distribution of Hydrophobicity Influences Pharmacological Activity of Propafenone‐type MDR Modulators (2004) (11)
- Studies on propafenone-type modulators of multidrug resistance VI. Synthesis and pharmacological activity of compounds with varied spacer length between the central aromatic ring and the nitrogen atom (1998) (11)
- Improved synthesis and pharmacologic activity of the enantiomers of a new benzofurane type antiarrhythmic compound. (1994) (11)
- Acute effects of the imidacloprid metabolite desnitro-imidacloprid on human nACh receptors relevant for neuronal signaling (2021) (11)
- Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements. (2017) (11)
- Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein (2018) (11)
- MCASE study of the multidrug resistance reversal activity of propafenone analogs (2003) (10)
- Recent developments in overcoming tumour cell multi-drug resistance (1997) (10)
- The hepatocyte export carrier inhibition assay improves the separation of hepatotoxic from non-hepatotoxic compounds. (2021) (10)
- Linking organic anion transporting polypeptide 1B1 and 1B3 (OATP1B1 and OATP1B3) interaction profiles to hepatotoxicity ‐ The hyperbilirubinemia use case (2017) (10)
- Identification of mitochondrial toxicants by combined in silico and in vitro studies – A structure-based view on the adverse outcome pathway (2020) (10)
- Using structural and mechanistic information to design novel inhibitors/substrates of P-glycoprotein. (2010) (10)
- New approach methods supporting read-across: Two neurotoxicity AOP-based IATA case studies. (2021) (9)
- New benzofuran-type antiarrhythmic compounds related to propafenone (1994) (9)
- Hydrophobic moments as physicochemical descriptors in structure-activity relationship studies of P-glycoprotein inhibitors (2008) (9)
- Similarity-based descriptors (SIBAR) – A tool for safe exchange of chemical information? (2005) (9)
- Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine‐like Cathinones at the Dopamine Transporter (2017) (9)
- Structural Insight into the In Vitro Anti-Intravasative Properties of Flavonoids (2019) (9)
- Image Based Liver Toxicity Prediction (2020) (9)
- CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding (2021) (9)
- Transporters as drug carriers : structure, function, substrates (2009) (9)
- Development of potential selective and reversible pyrazoline based MAO-B inhibitors as MAO-B PET tracer precursors and reference substances for the early detection of Alzheimer's disease. (2014) (8)
- Comparison of Contemporary Feature Selection Algorithms: Application to the Classification of ABC-Transporter Substrates (2009) (8)
- Organic Anion Transporting Polypeptides as Drug Targets (2017) (8)
- Syntheses and antigestagenic activity of mifepristone derivatives. (2009) (8)
- 2’-Hydroxychalcone Analogues: Synthesis and Structure-PGE2 Inhibitory Activity Relationship (2008) (8)
- Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro (2021) (8)
- Predicting drug resistance related to ABC transporters using unsupervised Consensus Self-Organizing Maps (2018) (7)
- Studies on Propafenone-Type Modulators of Multidrug Resistance. Part 8. Synthesis and Pharmacological Activity of Indanone Analogues. (1999) (7)
- 'Big data' in pharmaceutical science: challenges and opportunities. (2014) (7)
- Taking Open Innovation to the Molecular Level - Strengths and Limitations (2012) (7)
- Predicting Ligand Interactions with ABC Transporters in ADME. (2010) (7)
- POLθ processes ssDNA gaps and promotes replication fork progression in BRCA1-deficient cells. (2022) (7)
- Estimation of the Chemosensitizing Activity of Modulators of Multi‐drug Resistance via Combined Simultaneous Analysis of Sigmoidal Dose‐Response Curves (1997) (7)
- Use of shape similarities for the classification of P-glycoprotein substrates and nonsubstrates. (2011) (7)
- A eudesmane-type sesquiterpene isolated from Pluchea odorata (L.) Cass. combats three hallmarks of cancer cells: Unrestricted proliferation, escape from apoptosis and early metastatic outgrowth in vitro. (2015) (6)
- QSAR Studies on Drug Transporters Involved in Toxicology (2006) (6)
- Author Summary (6)
- Synthesis and in Silico Evaluation of Novel Compounds for PET-Based Investigations of the Norepinephrine Transporter (2015) (6)
- An in vitro Model for Blood Brain Barrier Permeation (2002) (6)
- A structure–kinetic relationship study using matched molecular pair analysis (2020) (6)
- COMPARISON OF DIFFERENT METHODS FOR ESTIMATION OF LIPOPHILICITY OF PROPAFENONE-TYPE MODULATORS OF MULTIDRUG RESISTANCE (1996) (6)
- How Far Could We Go with Open Data – A Case Study for TRPV1 Antagonists (2013) (6)
- Improved synthesis of the enantiomers of propafenone using chiral building blocks (1997) (6)
- γ‐Aminobutyric Acid and Glycine Neurotransmitter Transporters (2017) (6)
- Transporter taxonomy - a comparison of different transport protein classification schemes. (2014) (6)
- Open Innovation in Drug Discovery (2012) (5)
- Conformational Oversampling as Data Augmentation for Molecules (2019) (5)
- A Subset of Highly Effective Propafenone-Type Multidrug Resistance Modulators Lacks Effects on Cardiac Action Potential and Mechanical Twitch Parameters of Rat Papillary Muscles (2003) (5)
- The Similarity Principle - New Trends and Applications in Ligand-Based Drug Discovery and ADMET Profiling (2008) (5)
- Experimental characterization of the human non-sequence-specific nucleic acid interactome (2013) (5)
- Similarity Based Descriptors – Useful for Classification of Substrates of the Human Multidrug Transporter P‐Glycoprotein? (2009) (5)
- QSAR Studies on ABC Transporter – How to Deal with Polyspecificity (2009) (5)
- SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site (2018) (4)
- Folding correction of ABC‐transporter ABCB1 by pharmacological chaperones: a mechanistic concept (2017) (4)
- Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery (2022) (4)
- In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis. (2019) (4)
- Development of Refined Homology Models: Adding the Missing Information to the Medically Relevant Neurotransmitter Transporters (2014) (4)
- Artificial neural networks as versatile tools for prediction of MDR-modulatory activity. (1999) (4)
- Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs (2021) (4)
- Synthesis and Multidrug‐Resistance Modulating Activity of a Series of Thienothiazines (2002) (4)
- In silico screening of promiscuous targets and antitargets (2005) (4)
- ABC Transporters – From Targets to Antitargets? (2009) (4)
- Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein (2020) (3)
- Scientific Requirements for the Next-Generation Semantic Web-Based Chemogenomics and Systems Chemical Biology Molecular Information System OPS (2013) (3)
- Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects (2020) (3)
- Patent focus on agents for tumour therapy: May - October 1999 (1999) (3)
- Troxacitabine (Shire Pharmaceuticals). (2002) (3)
- Curated human hyperbilirubinemia data and the respective OATP1B1 and 1B3 inhibition predictions (2017) (3)
- Transporters as Drug Targets (2017) (3)
- A Method for the Synthesis of 2,3-Disubstituted 2,3-Dihydrobenzofurans (2000) (3)
- Thieno[2,3-b)pyridinones as Antagonists on the Glycine Site of the N-methyl-ᴅ-aspartate Receptor - Binding Studies, Molecular Modeling and structure-Activity-Relationships (2000) (3)
- Determination of the new MDR-modifier PFP 6 and its metabolites in human liver microsomes by high-performance liquid chromatography. (1996) (2)
- [Synthesis and pharmacodynamic activity of 2-(3-(2-phenylethyl)benzofuran-2-yl)-N-propyl-ethanamine]. (1995) (2)
- Electromechanical effects of newly synthetized propafenone derivatives on isolated guinea-pig heart muscle preparations. (1996) (2)
- Development of modulators of multidrug resistance: A pharmacoinformatic approach (2004) (2)
- Molecular Informatics Going “Fully Online” (2014) (2)
- 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 (2020) (2)
- Prediction of hERG Channel Inhibition Using In Silico Techniques (2011) (2)
- ENANTIOSEPARATION OF PROPAFENONE-TYPE MODULATORS OF MULTIDRUG RESISTANCE ON CYCLODEXTRIN BASED CHIRAL STATIONARY PHASES (1996) (2)
- ABC Transporters: From Targets to Antitargets and Back (2017) (1)
- New Benzofuran‐Type Antiarrhythmic Compounds Related to Propafenone. (1994) (1)
- ParaDockS – an open source framework for molecular docking (2012) (1)
- Levcromakalim Revisited: NMR Spectroscopic and Theoretical Investigations (2001) (1)
- Condor@Univie – a Distributed System Web Portal for Rigid & Flexible Ligand-Protein Docking (2009) (1)
- The high-affinity binding site for tricyclic antidepressants resides in the outer vestibule of the serotonin tranporter. (2010) (1)
- Ligand based and structural based modeling for the understanding, classification and prediction ofmitochondrial toxicity (2018) (1)
- Machine Learning Tools For off-Target Early Safety Assessment of Small Molecules In Drug Discovery (Single Task Neural Networks Vs Automated Machine Learning) (2021) (1)
- Cancer Drug Resistance: Targets and Therapies (2010) (1)
- Towards an understanding of the psychostimulant action of amphetamine and cocaine (2012) (1)
- Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1 (2021) (1)
- Amphetamine actions rely on the availability of phosphatidylinositol-4,5-bisphosphate (2011) (1)
- Synthesis and Pharmacological Activity of the Stereoisomers of GP‐88, a Propafenone‐Type Modulator of Multidrug Resistance. (2010) (1)
- Empowering pharmacoinformatics by linked life science data (2016) (1)
- Transmembrane drug transporter - taxonomy, assays, and their role in drug discovery. (2014) (1)
- A Quantum Chemical Study of Levcromakalim (1998) (1)
- How to Solve the Problems of Docking into a Symmetric Binding Site: The Example of the hERG Channel (2013) (1)
- Insights into the binding mode of propafenone type P-glycoprotein inhibitors (2011) (1)
- Experimental characterization of the human non-sequence-specific nucleic acid interactome (2013) (1)
- KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study (2022) (1)
- Using Jupyter Notebooks for re-training machine learning models (2022) (1)
- Studies on the Absolute Configuration and the Enantiomeric Purity of the Antibiotic Heptelidic Acid. (1999) (1)
- Synthesis and Multidrug-Resistance Modulating Activity of a Series of Thienothiazines. (2002) (1)
- Characterization of a novel class of antimalarials and its applicability to plasmodial target identification (2007) (1)
- Artificial Neural Networks in Drug Design 11: Influence of Learning Rate and Momentum Factor on the Predictive Ability (2000) (1)
- Deciphering structural rearrangements during transport process in the bacterial transporter GltPh, homolog to mammalian glutamate transporter (2012) (1)
- Insights into Phenylalanine Derivatives Recognition of VLA‐4 Integrin: From a Pharmacophoric Study to 3D‐QSAR and Molecular Docking Analyses. (2004) (1)
- Synthesis and multidrug resistance modulating activity of 5-hydroxy-propafenone analogs (1996) (0)
- Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling (2012) (0)
- Ion channels and proteinase inhibition. (1998) (0)
- A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance (2023) (0)
- Lanthanide resonance energy transfer‐based distance measurements in the mammalian glutamate transporter excitatory amino acid transporter 3 (1064.12) (2013) (0)
- Proteochemometric modeling of GABA transporters (2020) (0)
- Experimental Data Guided Docking of Small Molecules into Homology Models of Neurotransmitter Transporters (2016) (0)
- QSAR, HQSAR and GRIND Studies on a Set of Heterocyclic Propafenone-Type Inhibitors of P-Glycoprotein (2009) (0)
- 11th German Conference on Chemoinformatics (GCC 2015) (2016) (0)
- Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes (2013) (0)
- Identification of Privileged Atom-Types in Substrates of the ABC-Transporter ABCB1 (P-gp) by Random Forest Classification (2009) (0)
- Molecular Informatics – From Models to Molecules and Systems (2010) (0)
- LRET-based intramolecular distance measurements in LeuTAa (2011) (0)
- Editorial: Sustained Success of Molecular Informatics (2013) (0)
- The Open PHACTS Discovery Platform from a network biology perspective (2016) (0)
- Decrypting structural and functional changes in LeuTAa at atomic level employing LRET (2012) (0)
- Interaction of ABC Transporters with Drugs (2016) (0)
- Unfolding the Structure of LeuT Employing Luminescence Resonance Energy Transfer (2014) (0)
- Ligand Based Screening Tools for Insulin Receptor Activating Compounds (2009) (0)
- Characterization of Mephedrone and its Bioactive Metabolites (2016) (0)
- High-Throughput Calculations of Ligand-Protein Docking with UVieCo – A Web-Based Distributed Computing Portal (2009) (0)
- Deciphering structural rearrangements during transport process in the bacterial transporter GltPh, homolog to mammalian glutamate transporter (2012) (0)
- Editorial: Molecular Informatics Gaining Impact (2012) (0)
- American Chemical Society--222nd national meeting. Division of computers in chemistry. (2001) (0)
- Transporters in Hepatotoxicity (2018) (0)
- Functional aspects of multidrug transport (2005) (0)
- Nucleation of Lipid Domain by Neuroligin-1 during Oligomerization (2012) (0)
- Predicting drug resistance related to ABC transporters using unsupervised Consensus Self-Organizing Maps (2018) (0)
- Unraveling the Molecular Determinants for GABA Transporter Subtype Selectivity (2020) (0)
- [Pharmaco-toxicologic evaluation of newly synthesized analogs of propafenone]. (1997) (0)
- Selective serotonin reuptake inhibitor-induced cell death: in search of a mechanism (2010) (0)
- In silico Screening with Benzofuran- and Benzopyran-Type MDR-Modulators. (2003) (0)
- Transporters in Motion: Combining Computational Approaches and LRET-Measurements (2015) (0)
- Pers P ective sP ecial Focus: Horizons in Medicinal cH e M istry (2014) (0)
- Conference abstract PO-05 Ligand Docking of Propafenones into a Homology Model of ABCB 1 (2009) (0)
- Intrinsic Activity, 2014; 2(Suppl.1) (2014) (0)
- Drug transport pumps: from molecular biology and pharmacology to clinical implications. (1999) (0)
- Docking of Multiple Ligands into a New Homology Model of the Serotonin Transporter (2009) (0)
- Ligand Docking of Propafenones into a Homology Model of ABCB1 (2009) (0)
- Functional Dynamics of Glutamate/Amino Acid Transporters of the Solute Carrier 1 Family (2015) (0)
- Insights into Molecular Basis of hERG Inhibition by Studying a Library of Dofetilide Derivatives (2014) (0)
- Selectivity Profiling of the Human Monoamine Transporters: Investigation of the Serotonin Transporter Mechanism (2018) (0)
- Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide (2018) (0)
- Microsoft Word-47328733-file00 (2010) (0)
- Ligand Determinants of Drug Trapping in hERG Potassium Channels (2009) (0)
- Determining the Rate of Unfolding and Refolding of FNIII Domains by Labeling Buried Cysteine (2014) (0)
- The RESOLUTE consortium: unlocking SLC transporters for drug discovery (2020) (0)
- Systematic screening identifies ABCG2 as critical factor underlying synergy of kinase inhibitors with transcriptional CDK inhibitors (2023) (0)
- Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects (2020) (0)
- Improved Synthesis of the Enantiomers of Propafenone Using Chiral Building Blocks. (1997) (0)
- Open PHACTS now offers patent information and interactions from Pathways (2016) (0)
- A Novel Structural Model of the Creatine Transporter Rationalizes its Structural Determinants of Binding (2020) (0)
- LRET-based distance measurements in the mammalian glutamate transporter EAAT3 (2012) (0)
- A three dimensional model for the substrate binding domain of the multidrug ABC transporter LmrA (2004) (0)
- Luminescence resonance energy transfer-based intramolecular distance measurements in leucine transporter from Aquifex aeolicus (2010) (0)
- Flexible Docking Studies of a Series of Ligands in a Homology Model of the Human Serotonin Transporter (2010) (0)
- Induced Fit Docking into a SERT Homology Model (2009) (0)
- Using Multiple Approaches in Docking Pose Evaluation – Application to the GABAA Receptor (2009) (0)
- Molecular Modelling Studies for Analysing Interactions of Substrates and Inhibitors of the Serotonin Transporter (2008) (0)
- Molecular Informatics – The First Year (2011) (0)
- Toxicity prediction using target, interactome, and pathway profiles as descriptors. (2023) (0)
- Structural requirements for high activity of propafenone-type modulators of multidrug resistance (1996) (0)
- LRET-based distance measurements in the mammalian glutamate transporter EAAT3 (2012) (0)
- Molecular Informatics: From Models to Systems and Beyond (2016) (0)
- EUFEPS 2002 - new safe medicines faster. (2002) (0)
- A computational model for predicting the transport of compounds by ABCC2 (2012) (0)
- Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond (2018) (0)
- Mutations in the amino-terminus impair amphetamine-induced efflux by inducing inward-facing conformations of the serotonin transporter (2009) (0)
- Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery. (2022) (0)
- AACR - 91st meeting. New agent design and action. (2000) (0)
- A Method for the Synthesis of the Enantiomers of Propafenone. (1995) (0)
- Studies on Propafenone‐Type Modulators of Multidrug‐Resistance. Part 4. Synthesis and Pharmacological Activity of 5‐Hydroxy and 5‐Benzyloxy Derivatives. (1998) (0)
- Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models (2020) (0)
- Combining matched molecular pairs with binding pocket analysis to gain new insights into molecular features driving drug binding kinetics (2020) (0)
- METABOLISM OF THE NEW MDR-MODIFIER AM05 BY HUMAN LIVER MICROSOMES (1998) (0)
- Identi fi cation of Novel Inhibitors of Organic Anion Transporting Polypeptides 1 B 1 and 1 B 3 ( OATP 1 B 1 and OATP 1 B 3 ) Using a Consensus Vote of Six Classi fi cation Models (2015) (0)
- Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules (2022) (0)
- Decrypting structural and functional changes in LeuTAaat atomic level employing LRET (2012) (0)
- Recent Advances in Structural Modeling of ABC Transporters (2017) (0)
- The Aspartate Transporter in Motion - Combining Steered Molecular Dynamics with Lanthanide Resonance Energy Transfer based Distance Measurements (2014) (0)
- Joint Meeting of the Austrian Neuroscience Association (13 ANA Meeting) and the Austrian Pharmacological Society (19 Scientific Symposium of APHAR) (2013) (0)
- Functional aspects of multidrug efflux pumps - lessons learnt from P-glycoprotein and its bacterial homologue LmrA (2005) (0)
- Docking into Symmetric Binding Sites: Problems and Solutions Exemplified on the hERG Potassium Channel (2009) (0)
- Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time (2018) (0)
- Synthesis and ab initio calculations of a series of 1-benzopyrano[3,4-b][1,4]oxazines structurally related to cromakalim (1996) (0)
- SIBAR Descriptors and Support Vector Machine for ABCB1 Substrate Prediction (2009) (0)
- Cancer Drug Resistance – Targets and Therapies (0)
- A Method for the Synthesis of 2,3-Disubstituted 2,3-Dihydrobenzofurans. (2000) (0)
- Supplemental information POLq processes ssDNA gaps and promotes replication fork progression in BRCA1-deficient cells (2022) (0)
- Structural Determinants of the hASBT-Ligands Interactions (2019) (0)
This paper list is powered by the following services:
Other Resources About Gerhard Ecker
What Schools Are Affiliated With Gerhard Ecker?
Gerhard Ecker is affiliated with the following schools:
