Computational Chemistry/At the edge of Biology, Genomics and Proteomics

Previous chapter - ../Continuum solvation models/ The latest method of obtaining lead molecules for drug design involves using genome information to generate the virtual proteins and then generate inhibitors for the proteins by molecular mechanics / dynamics methods. The problem is there is often not enough knowledge of what the proteins coded for actually do. So far the computer programs can generate more lead molecules than can be sensibly tested by the traditional cell assay methods.