Molecular mechanics is most commonly used to estimate the strength of the intermolecular interaction between the small molecule and its biological target. It can also be used to provide semi-quantitative prediction of the binding affinity. This method will be able to predict affinity before a compound is synthesized and hence only one compound needs to be synthesized. Computational methods have accelerated finding by decreasing the number of iterations required and must often provide novel structures.
The bio simulation market is forecasted to cross $2,108 Million to $1,035 Million through 2015-2020, growing at a 15.29% CAGR.
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