about
The application of the open pharmacological concepts triple store (Open PHACTS) to support drug discovery researchScientific competency questions as the basis for semantically enriched open pharmacological space developmentSelectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learningTransporter assays and assay ontologies: useful tools for drug discoveryAnnotating Human P-Glycoprotein Bioassay DataFrom linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporterTaking Open Innovation to the Molecular Level - Strengths and LimitationsExploiting open data: a new era in pharmacoinformatics.How Open Data Shapes In Silico Transporter Modeling.Empowering pharmacoinformatics by linked life science dataOpen PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.The N terminus of monoamine transporters is a lever required for the action of amphetaminesMolecular modelling studies of new potential human DNA polymerase α inhibitors.Antitumor effects of guanosine-analog phosphonates identified by molecular modelling.Human polymerase alpha inhibitors for skin tumors. Part 2. Modeling, synthesis and influence on normal and transformed keratinocytes of new thymidine and purine derivatives.A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1)Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling.Adverse outcome pathways: opportunities, limitations and open questionsProbing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling.Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling.The Rise and Fall of a Scaffold: A Trend Analysis of Scaffolds in the Medicinal Chemistry Literature.Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes.Mutations in the amino-terminus impair amphetamine-induced efflux by inducing inward-facing conformations of the serotonin transporterSimilarity-based descriptors (SIBAR) – A tool for safe exchange of chemical information?Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides (OATPs)Identification of anticancer OATP2B1 substrates by an in vitro triple-fluorescence-based cytotoxicity screenOpioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1
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description
auteur
@nl
hulumtuese
@sq
researcher
@en
հետազոտող
@hy
name
Barbara Zdrazil
@ast
Barbara Zdrazil
@en
Barbara Zdrazil
@es
Barbara Zdrazil
@fr
Barbara Zdrazil
@nl
type
label
Barbara Zdrazil
@ast
Barbara Zdrazil
@en
Barbara Zdrazil
@es
Barbara Zdrazil
@fr
Barbara Zdrazil
@nl
prefLabel
Barbara Zdrazil
@ast
Barbara Zdrazil
@en
Barbara Zdrazil
@es
Barbara Zdrazil
@fr
Barbara Zdrazil
@nl
P1053
F-1021-2013
P106
P1416
P21
P31
P3829
P496
0000-0001-9395-1515
P569
2000-01-01T00:00:00Z