Abstracts of QSAR‐related Publications: Data Base Search & Virtual Screening
Identifieur interne : 001D81 ( Main/Curation ); précédent : 001D80; suivant : 001D82Abstracts of QSAR‐related Publications: Data Base Search & Virtual Screening
Auteurs :Source :
- QSAR & Combinatorial Science [ 1611-020X ] ; 2006-10.
English descriptors
- Teeft :
- Antiplasmodial activity, Atom pairs, Atomic coordinates, Available chemical directory, Biological material, Brookhaven protein data bank, Compound, Computational, Computational methods, Computational model, Cysteine, Cysteine protease inhibitors, Database, Database compounds, Daylight fingerprints, Descriptor, Diverse compounds, Diverse inhibitors, Docking, Donovani cysteine protease, Drug discovery, Drug targets, Estrogen receptor, Gold docking, Homology, Homology modeling, Homology models, Hydrogen bond acceptors, Hydrogen bonds donors, Inhibitor, Library design, Ligand, Micromolar inhibition, Modeling, Molecular weight, Novel bioactive scaffolds, Pharmacophore, Pharmacophore fingerprints, Pharmacophore model, Plasmodial cysteine proteases, Protease, Qsar comb, Screening, Silico screening, Similarity descriptors, Target protein, Test substance, Vdss, Vdss predictions, Vdss values, Verlag gmbh, Virtual screening.
Url:
DOI: 10.1002/qsar.200670046
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<term>Atomic coordinates</term>
<term>Available chemical directory</term>
<term>Biological material</term>
<term>Brookhaven protein data bank</term>
<term>Compound</term>
<term>Computational</term>
<term>Computational methods</term>
<term>Computational model</term>
<term>Cysteine</term>
<term>Cysteine protease inhibitors</term>
<term>Database</term>
<term>Database compounds</term>
<term>Daylight fingerprints</term>
<term>Descriptor</term>
<term>Diverse compounds</term>
<term>Diverse inhibitors</term>
<term>Docking</term>
<term>Donovani cysteine protease</term>
<term>Drug discovery</term>
<term>Drug targets</term>
<term>Estrogen receptor</term>
<term>Gold docking</term>
<term>Homology</term>
<term>Homology modeling</term>
<term>Homology models</term>
<term>Hydrogen bond acceptors</term>
<term>Hydrogen bonds donors</term>
<term>Inhibitor</term>
<term>Library design</term>
<term>Ligand</term>
<term>Micromolar inhibition</term>
<term>Modeling</term>
<term>Molecular weight</term>
<term>Novel bioactive scaffolds</term>
<term>Pharmacophore</term>
<term>Pharmacophore fingerprints</term>
<term>Pharmacophore model</term>
<term>Plasmodial cysteine proteases</term>
<term>Protease</term>
<term>Qsar comb</term>
<term>Screening</term>
<term>Silico screening</term>
<term>Similarity descriptors</term>
<term>Target protein</term>
<term>Test substance</term>
<term>Vdss</term>
<term>Vdss predictions</term>
<term>Vdss values</term>
<term>Verlag gmbh</term>
<term>Virtual screening</term>
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