Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme
Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme
Authors (4): M. A. L. Limb, R. Suardíaz, I. M. Grant, A. J. Mulholland
Themes: Biocatalysis
DOI: 10.1002/chem.201805250
Citations: 5
Pub type: article-journal
Pub year: 2018

Publisher: Wiley

Issue: 3

License: http://onlinelibrary.wiley.com/termsAndConditions#vor

Publication date(s): 2019/01/14 (print) 2018/12/13 (online)

Pages: 764-768

Volume: 25 Issue: 3

Journal: Chemistry - A European Journal

Link: https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fchem.201805250

URL: http://dx.doi.org/10.1002/chem.201805250

Hybrid quantum mechanics/molecular mechanics (QM/MM) calculations on lysozyme show significant distortion of the bound saccharide is required to facilitate the catalytic reaction.

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