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ChemPhysChem

Volumn 15, Issue 15, 2014, Pages 3264-3269

Averaging Techniques for Reaction Barriers in QM/MM Simulations

(2) Cooper, April M a Kästner, Johannes a

a UNIVERSITY OF STUTTGART (Germany)

Author keywords

computational chemistry; molecular mechanics; proteins; quantum mechanics; reaction barriers

Indexed keywords

PROCOLLAGEN PROLINE 2 OXOGLUTARATE 4 DIOXYGENASE;

CHEMISTRY; ISOMERISM; METABOLISM; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMICS;

ISOMERISM; MOLECULAR DYNAMICS SIMULATION; PROLYL HYDROXYLASES; QUANTUM THEORY; THERMODYNAMICS;

EID: 84908010321 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201402382 Document Type: Article

Times cited : (37)

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