Molecular dynamics simulations reveal how graphene oxide stabilizes and activates lipase in an anhydrous gas

The interaction between Candida antarctica lipase B (CALB) and graphene oxide (GO) in an anhydrous gas was studied using molecular dynamics (MD) simulations augmented with a simulated annealing procedure to accelerate relaxation towards equilibrium.

Bibliographic Details
Published in:Physical Chemistry Chemical Physics
Main Authors: Fu, Zhongwang, Xu, Weina, Chen, Gong, Wang, Zheyu, Lu, Diannan, Wu, Jianzhong, Liu, Zheng
Other Authors: National Natural Science Foundation of China
Format: Article in Journal/Newspaper
Language:English
Published: Royal Society of Chemistry (RSC) 2019
Subjects:
Antarc*
Antarctica
Online Access:http://dx.doi.org/10.1039/c9cp05271b
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP05271B
Description
Summary:The interaction between Candida antarctica lipase B (CALB) and graphene oxide (GO) in an anhydrous gas was studied using molecular dynamics (MD) simulations augmented with a simulated annealing procedure to accelerate relaxation towards equilibrium.

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