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Reaction barriers of chorismate mutase calculated using ONIOM.

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posted on 2013-04-12, 00:18 authored by Casper SteinmannCasper Steinmann, Dmitri G. Fedorov, Jan H. Jensen

The reaction coordinates in Å for the reactant, transition state and product are RR, RTS and RP, respectively. The barrier height of the transition state ETS−R and the overall reaction energy EP−R are in kcal/mol.

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    BiochemistrymetabolismMetabolic pathwaysApplied chemistryChemical propertieschemical biologyChemical reactionsOrganic reactionsDiels-Alder reactionExothermic reactionscomputational chemistryPhysical chemistryquantum chemistryTheoretical chemistrybarrierschorismatemutasecalculated

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