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Literature DB >> 30347479

Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg-White Lysozyme.

Michael A L Limb¹, Reynier Suardíaz¹, Ian M Grant², Adrian J Mulholland¹.

Abstract

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

Entities: Chemical

Keywords: QM/MM; computational chemistry; enzyme catalysis; enzyme reaction mechanisms; lysozyme; molecular dynamics

Mesh：

Substances：

Year: 2018 PMID： 30347479 DOI： 10.1002/chem.201805250

Source DB: PubMed Journal: Chemistry ISSN： 0947-6539 Impact factor: 5.236

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Cited

1 in total

Review 1. A perspective on the PDB's impact on the field of glycobiology.

Authors: James H Prestegard
Journal: J Biol Chem Date: 2021-03-17 Impact factor: 5.157

1 in total