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Activation of Inhibitors by Sortase Triggers Irreversible Modification of the Active SiteDesign, synthesis, evaluation and thermodynamics of 1-substituted pyridylimidazo[1,5-a]pyridine derivatives as cysteine protease inhibitorsPharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plantsMerosesquiterpene Congeners from the Australian Sponge Hyrtios digitatus as Potential Drug Leads for Atherosclerosis DiseaseGlobal mapping of pharmacological spaceA tool for the post data analysis of screened compounds derived from computer-aided docking scoresAssay concordance between SPA and TR-FRET in high-throughput screening.From physicochemistry to absorption and distribution: predictive mechanistic modelling and computational tools.Parallel synthesis of a library of symmetrically- and dissymmetrically-disubstituted imidazole-4,5-dicarboxamides bearing amino acid esters.Eltrombopag: the discovery of a second generation thrombopoietin-receptor agonist.Small molecule inhibitors of histone acetyltransferase Tip60An integrated drug-likeness study for bicyclic privileged structures: from physicochemical properties to in vitro ADME properties.Discrimination of approved drugs from experimental drugs by learning methodsCompound prioritization methods increase rates of chemical probe discovery in model organisms.A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space.The discovery of potential acetylcholinesterase inhibitors: a combination of pharmacophore modeling, virtual screening, and molecular docking studies.Tumor necrosis factor receptor superfamily 10B (TNFRSF10B): an insight from structure modeling to virtual screening for designing drug against head and neck cancer.Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections.Systems pharmacology dissection of the anti-inflammatory mechanism for the medicinal herb Folium eriobotryae.An overview of molecular fingerprint similarity search in virtual screening.Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates.Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space.Computational systems chemical biology.Virtual screening of the inhibitors targeting at the viral protein 40 of Ebola virus.Matching the power of high throughput screening to the chemical diversity of natural productsCannabinoid CB2 receptor ligand profiling reveals biased signalling and off-target activity.Hydrophobicity--shake flasks, protein folding and drug discovery.Chemical validation of phosphodiesterase C as a chemotherapeutic target in Trypanosoma cruzi, the etiological agent of Chagas' disease.In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria.Discovery of Potential, Non-Toxic Influenza Virus Inhibitor by Computational Techniques.Virtual screening for oseltamivir-resistant a (H5N1) influenza neuraminidase from traditional Chinese medicine database: a combined molecular docking with molecular dynamics approach.Molecular simulation of protein-surface interactions: benefits, problems, solutions, and future directions.Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolitesIdentification and prioritization of novel anti-Wolbachia chemotypes from screening a 10,000-compound diversity library.In silico pharmacokinetic and molecular docking studies of small molecules derived from Indigofera aspalathoides Vahl targeting receptor tyrosine kinases.FAF-Drugs: free ADME/tox filtering of compound collections.Fragment-based Binding Efficiency Indices in Bioactive Molecular Design: A Computational Approach to BACE-1 Inhibitors.A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors.Ion mobility-mass spectrometry applied to cyclic peptide analysis: conformational preferences of gramicidin S and linear analogs in the gas phase.Identification of potential inhibitors of H5N1 influenza A virus neuraminidase by ligand-based virtual screening approach.
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Selection criteria for drug-like compounds.
@ast
Selection criteria for drug-like compounds.
@en
type
label
Selection criteria for drug-like compounds.
@ast
Selection criteria for drug-like compounds.
@en
prefLabel
Selection criteria for drug-like compounds.
@ast
Selection criteria for drug-like compounds.
@en
P356
P1476
Selection criteria for drug-like compounds.
@en
P2093
Ingo Muegge
P304
P356
10.1002/MED.10041
P577
2003-05-01T00:00:00Z