In silico based virtual screening and mixed mode QM/MM calculation identifies caffeine scaffold for designing potential inhibitors for tyrosyl tRNA synthetase of M ycobacterium tuberculosis.

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Bibliographic Details
Title: In silico based virtual screening and mixed mode QM/MM calculation identifies caffeine scaffold for designing potential inhibitors for tyrosyl tRNA synthetase of M ycobacterium tuberculosis.
Authors: Sathya, Rajendran1, Thamotharan, Subbiah1
Source: International Journal of Quantum Chemistry. Feb2015, Vol. 115 Issue 3, p187-195. 10p.
Database: Academic Search Ultimate
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