Reaction mechanism of the pNPA hydrolysis by the human carboxylesterase-1: geometry configurations at PES stationary points
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Reaction mechanism of the pNPA (p-nitrophenyl acetate) hydrolysis by the human carboxylesterase-1. Stationary points are calculated at the QM(PBE0/6-31G**)/MM(AMBER) level.
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Zenodo创建时间：
2021-04-30
