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...
Molecular docking plays an important role in the process of drug discovery; specifically in virtual screening of combinatorial libraries and optimizat...