Pharmacophore Constraints Used in Docking

One of the most important applications for docking methods is the correct prediction of a possible binding pose, an ability that has been exhaustively 

The pharmacophore concept is a successful and well-known approach - both ligand- and structure-based - for drug design as well as for VS. Several methods for describing pharmacophores have been established, showing significant differences and capabilities in the way in which they describe chemical features as 

Both in the pharmaceutical industry and software companies specialized in computer-aided molecular design the demand for experts in the field interfacing medicinal chemistry and computer sciences will increase within the next decade. There is no doubt that we will experience an exciting period of substantial progress in pharmacophore-based VS technologies in the near future. 

Zuegge, G. Schneider, P. Coassolo and T. Lave, Clin. Pharmacokinet., 

Abagyan and M. Totrov, Curr. Opin. Chem. Biol, 2001, 5, 375-382. 

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