Drug design virtual screening

Klebe G, editor. Virtual screening an alternative or complement to high throughput screening. Dordrecht Kluwer Academic Publishers, 2000 also published in Persp Drug Discov Design 2000 20 1-287. 

Waszkowycz B. Structure-based approaches to drug design and virtual screening. Curr Opin Drug Discov Dev 2002 5 407-13. 

It should be pointed out that one is focused on properties of molecules in the absence of the receptor in contrast to the detailed focus on the complex in drug design studies. Many approaches to similarity fail to even consider chirality, a common discriminator of receptors. For a recent overview of the current status of virtual screening in lead discovery, see the review by Oprea and Matter [82]. 

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