Binding process and free energy characteristics of cellulose chain into the catalytic domain of cellobiohydrolase TrCel7A

It was observed in experiments that the catalytic domain (CD) of Trichoderma reesei Cel7A (TrCel7A) hydrolyzes crystalline cellulose in a processive manner, but the underlying binding mechanism is still unknown. Here, through replica-exchange molecular dynamics simulations, we find that the loading...

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Bibliographic Details
Main Authors: Yang, Yanmei, Liu, Yang, Ning, Lulu, Wang, Lushan, Mu, Yuguang, Li, Weifeng
Other Authors: School of Biological Sciences
Format: Article
Language:English
Published: 2021
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Online Access:https://hdl.handle.net/10356/151960
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Institution: Nanyang Technological University
Language: English

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