Successful Virtual Screening for Novel Inhibitors of Human Carbonic Anhydrase:  Strategy and Experimental Confirmation

Virtual screening of compound libraries is an alternative and complementary approach to high-throughput screening in the lead discovery process. A new strategy is described to search for possible leads of human carbonic anhydrase II, applying a protocol of several consecutive hierarchical filters in...

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Veröffentlicht in:	Journal of medicinal chemistry 2002-08, Vol.45 (17), p.3588-3602
Hauptverfasser:	Grüneberg, Sven, Stubbs, Milton T, Klebe, Gerhard
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological and medical sciences Carbonic Anhydrase II - chemistry Carbonic Anhydrase Inhibitors - chemistry Crystallography, X-Ray Databases, Factual Humans Isoenzymes - chemistry Ligands Medical sciences Miscellaneous Models, Molecular Pharmacology. Drug treatments Protein Binding Quantitative Structure-Activity Relationship
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