Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method. - Hui Li; Di Wang; Xin Zhao; Li-Nan Lu; Cui Liu; Li-Dong Gong; Dong-Xia Zhao; Zhong-Zhi Yang (J. Comput. Chem., 2019)