Virtual Screening in Drug Design

Sousa SF et al (2010) Virtual screening in drug design and development Comb Chem High Throughput Screen 13(5) 442-453... 

Hou, T. and Xu, X. (2004) Recent evelopment and application of virtual screening in drug discovery an overview. Current Pharmaceutical Design, 10, 1011-1033,... 

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]. 

Molecular Field Topology Analysis in Drug Design and Virtual Screening... 

This rule appeals by its simplicity. All parameters can be easily computed, and therefore the rule is often used in virtual screening and library design procedures. Manifold applications of this rule revealed that compliance to it does not necessarily facilitate distinction between drug-like and... 

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