QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate

文献信息

发布日期 2008-08-05

DOI 10.1039/B810099C

影响因子 6.222

作者

Anna L. Bowman, Ian M. Grant, Adrian J. Mulholland

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摘要

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations indicate that the reaction of native HEWL with its natural substrate involves a covalent intermediate, in contrast to the ‘textbook’ mechanism for this seminal enzyme.

期刊推荐

Current Pharmaceutical Biotechnology

Physical Chemistry Chemical Physics

Journal of Medical Biochemistry

Lab on a Chip

Foundations of Chemistry

Contact Lens & Anterior Eye

European Journal of Organic Chemistry

Faraday Discussions

Mini-Reviews in Medicinal Chemistry

Photochemical & Photobiological Sciences

来源期刊

Chemical Communications

CiteScore: 8.6

自引率: 4.7%

年发文量: 2458

ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry

QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate

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