Drug discovery comparative protein modelling

Singh N, Cheve G, Avery MA, McCurdy CR (2006) Comparative protein modeling of l-deoxy-D-xylulose-5-phosphate reductoi-somerase enzyme from Plasmodium falciparum a potential target for antimalarial drug discovery. J Chem Inf Model 46(3) 1360-1370... 

Most successful and widely accepted method is Homology-based method, which is based on comparative similarity and identity based scores between query and databases. As all these methods are very popular but virtual screening is very successful only for those structures, which are modeled by homology-based methods (Ripphausen et al. 2010). In any case, a homology model must start from a closely related experimental structure, so an important contributing factor in the increased utility of computational drug discovery is the rapid growth in the number of available protein structures (Joachimiak 2009). 

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