42 results on '"Ecker, Gerhard F."'
Search Results
2. Privacy-preserving techniques for decentralized and secure machine learning in drug discovery
3. Paralog-dependent isogenic cell assay cascade generates highly selective SLC16A3 inhibitors
4. Toxicity prediction using target, interactome, and pathway profiles as descriptors
5. POLθ processes ssDNA gaps and promotes replication fork progression in BRCA1-deficient cells
6. Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery
7. Identification of mitochondrial toxicants by combined in silico and in vitro studies – A structure-based view on the adverse outcome pathway
8. para-Trifluoromethyl-methcathinone is an allosteric modulator of the serotonin transporter
9. Structural and molecular aspects of betaine-GABA transporter 1 (BGT1) and its relation to brain function
10. Structural Determinants of the hASBT-Ligands Interactions
11. Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein
12. Selectivity Profiling of the Human Monoamine Transporters: Investigation of the Serotonin Transporter Mechanism
13. Predicting drug-induced liver injury: The importance of data curation
14. Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
15. Curated human hyperbilirubinemia data and the respective OATP1B1 and 1B3 inhibition predictions
16. Linking organic anion transporting polypeptide 1B1 and 1B3 (OATP1B1 and OATP1B3) interaction profiles to hepatotoxicity - The hyperbilirubinemia use case
17. Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors
18. A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes
19. 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
20. Medicinal chemistry in the era of big data
21. Prediction of drug–ABC-transporter interaction — Recent advances and future challenges
22. Structure activity relationship of selective GABA uptake inhibitors
23. Transporters in Motion: Combining Computational Approaches and LRET-Measurements
24. A multivariate approach linking reported side effects of clinical antidepressant and antipsychotic trials to in vitro binding affinities
25. Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters
26. Transporter taxonomy – a comparison of different transport protein classification schemes
27. Computational models for predicting the interaction with ABC transporters
28. Transmembrane drug transporter – taxonomy, assays, and their role in drug discovery
29. Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein
30. Scientific competency questions as the basis for semantically enriched open pharmacological space development
31. Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors
32. Amphetamine Actions Rely on the Availability of Phosphatidylinositol-4,5-Bisphosphate
33. Insights into structure–activity relationship of GABAA receptor modulating coumarins and furanocoumarins
34. Random Mutagenesis of the Prokaryotic Peptide Transporter YdgR Identifies Potential Periplasmic Gating Residues
35. Synthesis, spasmolytic activity and structure–activity relationship study of a series of polypharmacological thiobenzanilides
36. The N Terminus of Monoamine Transporters Is a Lever Required for the Action of Amphetamines
37. Synthesis and antitumor-evaluation of cyclopropyl-containing combretastatin analogs
38. Inhibitory activity of prostaglandin E2 production by the synthetic 2′-hydroxychalcone analogues: Synthesis and SAR study
39. Computational models for prediction of interactions with ABC-transporters
40. A binary QSAR model for classification of hERG potassium channel blockers
41. A novel flow based hollow-fiber blood–brain barrier in vitro model with immortalised cell line PBMEC/C1–2
42. Homology model of the multidrug transporter LmrA from Lactococcus lactis
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