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How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusionProteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesGeomfinder: a multi-feature identifier of similar three-dimensional protein patterns: a ligand-independent approachPrediction of the P. falciparum target space relevant to malaria drug discoveryDetermining the Degree of Promiscuity of Extensively Assayed CompoundsThe Role of Historical Bioactivity Data in the Deconvolution of Phenotypic Screens.PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach.Investigations into the binding of jadomycin DS to human topoisomerase IIβ by WaterLOGSY NMR spectroscopy.Quantifying the tendency of therapeutic target proteins to bind promiscuous or selective compoundsThermal proteome profiling for unbiased identification of direct and indirect drug targets using multiplexed quantitative mass spectrometry.Large-scale bioactivity analysis of the small-molecule assayed proteomeThe scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules.Bioorthogonal approach to identify unsuspected drug targets in live cells.The role of protein conformational switches in pharmacology: its implications in metabolic reprogramming and protein evolution.Pharmaceuticals that contain polycyclic hydrocarbon scaffolds.Entering the 'big data' era in medicinal chemistry: molecular promiscuity analysis revisitedNetwork-based Approaches in Pharmacology.Polypharmacology: in silico methods of ligand design and development.Comparing atom-based with residue-based descriptors in predicting binding site similarity: do backbone atoms matter?Live cell off-target identification of lapatinib using ligand-directed tosyl chemistry.Analyzing Promiscuity at the Level of Active Compounds and Targets.A Perspective on Computational Chemogenomics.Systematic Assessment of Molecular Selectivity at the Level of Targets, Bioactive Compounds, and Structural Analogues.Considerations of Protein Subpockets in Fragment-Based Drug Design.Computational polypharmacology comes of age.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.Improving data mining strategies for drug design.
P2860
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P2860
description
article
@en
im Januar 2013 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у 2013
@uk
name
On the origins of drug polypharmacology
@en
On the origins of drug polypharmacology
@nl
type
label
On the origins of drug polypharmacology
@en
On the origins of drug polypharmacology
@nl
prefLabel
On the origins of drug polypharmacology
@en
On the origins of drug polypharmacology
@nl
P2860
P356
P1433
P1476
On the origins of drug polypharmacology
@en
P2860
P356
10.1039/C2MD20242E
P577
2013-01-01T00:00:00Z