Multicoordinate driven method for approximating enzymatic reaction paths: automatic definition of the reaction coordinate using a subset of chemical coordinates.

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Published in J Phys Chem A on January 19, 2006

Authors

Imre Berente1, Gábor Náray-Szabó

Author Affiliations

1: Department of Theoretical Chemistry, Eötvös Loránd University, H-1117 Budapest, Pázmány Péter st. 1A, Hungary. imre.berente@gmail.com

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