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Quantum Mechanics/Molecular Mechanics simulations show saccharide distortion is required for reaction in hen egg-white lysozyme

Research output: Contribution to journalArticlepeer-review

  • Michael A. L. Limb
  • Reynier Suardíaz
  • Ian M. Grant
  • Adrian J. Mulholland

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

Original languageEnglish
Pages (from-to)764-768
Number of pages5
JournalChemistry - A European Journal
Issue number3
Early online date13 Dec 2018
Publication statusPublished - 14 Jan 2019
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ID: 15563909