Toward accurate barriers for enzymatic reactions: QM/MM case study on 
p-hydroxybenzoate hydroxylase

Mata, R. A.; Werner, H.-J.; Thiel, S.; Thiel, W.

doi:10.1063/1.2823055

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Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase

Mata, R. A., Werner, H.-J., Thiel, S., & Thiel, W. (2008). Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase. Journal of Chemical Physics, 128: 025104. doi:10.1063/1.2823055.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-903B-5 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-3117-2

Genre: Journal Article

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Creators:
Mata, R. A.¹, Author
Werner, H.-J.¹, Author
Thiel, S.², Author
Thiel, W.², Author

Affiliations:
1[Mata, Ricardo A.; Werner, Hans-Joachim] Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany., ou_persistent22
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Language(s): eng - English

Dates: Date issued: 2008

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 407446
DOI: 10.1063/1.2823055
ISI: 000252450100046

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Title: Journal of Chemical Physics

Alternative Title : J. Chem. Phys.

Source Genre: Journal

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Pages: - Volume / Issue: 128 Sequence Number: 025104 Start / End Page: - Identifier: ISSN: 0021-9606