Catalytic mechanism of C–F bond cleavage: insights from QM/MM analysis of fluoroacetate dehalogenase-Reference-Cited by-同舟云学术

Catalytic mechanism of C–F bond cleavage: insights from QM/MM analysis of fluoroacetate dehalogenase

Published:2016 Issue:1 Volume:6 Page:73-80
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Li Yanwei¹²³⁴,Zhang Ruiming¹²³⁴,Du Likai⁵⁶⁷⁸⁴,Zhang Qingzhu¹²³⁴,Wang Wenxing¹²³⁴

Affiliation:

1. Environment Research Institute

2. Shandong University

3. Jinan 250100

4. PR China

5. Key Laboratory of Bio-based Materials

6. Qingdao Institute of Bio-energy and Bioprocess Technology

7. Chinese Academy of Sciences

8. Qingdao 266101

Abstract

The catalytic mechanisms of fluoroacetate dehalogenase (FAcD) toward substrates fluoroacetate and chloroacetate were studied by a combined quantum mechanics/molecular mechanics (QM/MM) method.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CY/C5CY00777A

Reference42 articles.

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