How Many Conformations of Enzymes Should Be Sampled for DFT/MM Calculations? A Case Study of Fluoroacetate Dehalogenase

Author： Li Yanwei   Zhang Ruiming   Du Likai   Zhang Qingzhu   Wang Wenxing  

Publisher： MDPI

E-ISSN： 1422-0067|17|8|1372-1372

ISSN： 1422-0067

Source： International Journal of Molecular Sciences, Vol.17, Iss.8, 2016-08, pp. : 1372-1372

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