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.

Autor: Sathya, Rajendran1, Thamotharan, Subbiah1
Zdroj: International Journal of Quantum Chemistry. Feb2015, Vol. 115 Issue 3, p187-195. 10p.
Databáze: Academic Search Ultimate