1. School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS81TS UK;2. Present address: Institute of Psychiatry, Psychology & Neuroscience, King's College London, Denmark Hill, London, SE5 8AF UK
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.