title: Simulating enzyme reactions: challenges and perspectives.
abstract: Elucidating how enzymes enhance the rates of the reactions that they catalyze is a major goal of contemporary biochemistry, and it is an area in which computational and theoretical techniques can make a major contribution. This article outlines some of the processes that need to be investigated if enzyme catalysis is to be understood, reviews the current state-of-the-art in enzyme simulation work, and highlights challenges for the future.
authors.affiliation: Laboratoire de Dynamique Moléculaire, Institut de Biologie Structurale, Grenoble, France. mjfield@ibs.fr
authors.forename: Martin J
authors.initials: MJ
authors.lastname: Field
mesh_terms: D002384:Catalysis; D019295:Computational Biology / Q000379:methods; D003198:Computer Simulation; D004789:Enzyme Activation; D004798:Enzymes / Q000737:chemistry* / Q000378:metabolism*; D007700:Kinetics; D008962:Models, Theoretical; D015394:Molecular Structure
chemical_list: D004798:Enzymes