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Computational Understanding of the Selectivities in Metalloenzymes

Wen-Jie Wei1, Hui-Xia Qian1, Wen-Juan Wang1

  • 1Key Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry of Education, Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medica, Hubei Key Laboratory of Materials Chemistry and Service Failure, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, China.

Frontiers in Chemistry
|January 10, 2019
PubMed

Keywords:
QMQM/MMmetalloenzymereaction mechanismselectivity

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