Drug design structure-assisted lead optimization

The processes as just described do not require any information coordination between the genomics and proteomics work and the subsequent lead discovery and optimization. In the last decade, there has been a growing effort to transition the information from the proteomics step into a computer-aided dmg discovery process—to use the information about the protein itself to help choose appropriate compounds to screen for the desired efficacy. The use of computers to assist in drug discovery neither is new nor was always tied to the use of protein structures. The recent developments in proteomics have focused the work on protein structure-based computer-aided drug design. 

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