767 results on '"Ecker, Gerhard F."'
Search Results
52. Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP
53. Empowering pharmacoinformatics by linked life science data
54. Towards an understanding of the psychostimulant action of amphetamine and cocaine
55. Prediction of hERG Channel Inhibition Using In Silico Techniques
56. A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance
57. A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance
58. A multivariate approach linking reported side effects of clinical antidepressant and antipsychotic trials to in vitro binding affinities
59. Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters
60. Transporter taxonomy – a comparison of different transport protein classification schemes
61. Computational models for predicting the interaction with ABC transporters
62. Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein
63. Recent Advances in Structural Modeling of ABC Transporters
64. Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
65. 11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015
66. Scientific competency questions as the basis for semantically enriched open pharmacological space development
67. Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4, 5-bisphosphate
68. Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors
69. Evidence-based approach to assess passive diffusion and carrier-mediated drug transport
70. Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery
71. Experimental Data Guided Docking of Small Molecules into Homology Models of Neurotransmitter Transporters
72. Additional file 3 of Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules
73. Additional file 2 of Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules
74. Additional file 1 of Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules
75. Additional file 1 of KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study
76. Insights into structure–activity relationship of GABAA receptor modulating coumarins and furanocoumarins
77. Random Mutagenesis of the Prokaryotic Peptide Transporter YdgR Identifies Potential Periplasmic Gating Residues
78. Synthesis, spasmolytic activity and structure–activity relationship study of a series of polypharmacological thiobenzanilides
79. Interaction of ABC Transporters with Drugs
80. The N Terminus of Monoamine Transporters Is a Lever Required for the Action of Amphetamines
81. Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1
82. CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding
83. Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs
84. Machine Learning Tools For off-Target Early Safety Assessment of Small Molecules In Drug Discovery (Single Task Neural Networks Vs Automated Machine Learning)
85. Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening
86. 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
87. Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs
88. New Approach Methods (NAMs) Supporting Read-Across : Two Neurotoxicity AOP-based IATA Case Studies
89. New approach methods (NAMs) supporting read-across:Two neurotoxicity AOP-based IATA case studies
90. Computational models for prediction of interactions with ABC-transporters
91. A binary QSAR model for classification of hERG potassium channel blockers
92. Exploiting open data: a new era in pharmacoinformatics
93. Similarity-based SIBAR descriptors for classification of chemically diverse hERG blockers
94. Hydrophobic moments as physicochemical descriptors in structure-activity relationship studies of P-glycoprotein inhibitors
95. Cancer Drug Resistance – Targets and Therapies
96. Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro
97. In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways
98. Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein
99. Vienna LiverTox Workspace—A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies
100. Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling
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