Work

High‐Accuracy Computation of Reaction Barriers in Enzymes

Year: 2006

Type: article

Source: Angewandte Chemie International Edition

DOI: 10.1002/anie.200602711

Authors: Frederik Claeyssens, Jeremy N. Harvey, Frederick R. Manby, Ricardo A. Mata, Adrian J. Mulholland, Kara E. Ranaghan, Martin Schütz, Stephan Thiel, Walter Thiel, Hans‐Joachim Werner

Institutions: University of Stuttgart, University of Bristol, University of Regensburg, Max Planck Society, Max-Planck-Institut für Kohlenforschung

Language: English

Topic: Physical Organic Chemistry and Reaction Kinetics

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: closed

Funder: Engineering and Physical Sciences Research Council

Awards: G3733613601, CCP-BioSim: Biomolecular simulation at the life sciences interface, G4799187780, Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study

OpenAlex ID: W2108116455

FWCI: 11.74

Cites: 29

Cited by: 272

Related to: 9