Molecular docking plays an important role in the process of drug
discovery; specifically in virtual screening of combinatorial
libraries and optimization of the lead compounds. The ability to
model and predict the binding sites of proteins on one hand and in
silico screening of large number of compounds on the other hand has
encouraged the development of new algorithms and streatgies for
docking programs. While docking does not completely eliminate the
need for experiments, lab-on-chip type of approaches coupled with
computational high throughput screening have been a boon to the
drug discovery activity. It will help in reducing the cost of novel
drug development. In the current book on computational drug
discovery, we described small information about the case study of
drug development against Tuberculosis and Herpes diseases. In later
case study, we provided detail description about protein modeling
to natural drug finding against Cholera disease.
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