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.
Published in: | Physical Chemistry Chemical Physics |
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Main Authors: | , , , , , , |
Other Authors: | |
Format: | Article in Journal/Newspaper |
Language: | English |
Published: |
Royal Society of Chemistry (RSC)
2019
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Subjects: | |
Online Access: | http://dx.doi.org/10.1039/c9cp05271b http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP05271B |
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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