Systematic QM/MM investigation of factors that affect the cytochrome P450cam
-catalyzed hydrogen abstraction of camphor

Altun, A.; Shaik, S.; Thiel, W.

doi:10.1002/jcc.20398

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Systematic QM/MM investigation of factors that affect the cytochrome P450_cam-catalyzed hydrogen abstraction of camphor

Altun, A., Shaik, S., & Thiel, W. (2006). Systematic QM/MM investigation of factors that affect the cytochrome P450_cam-catalyzed hydrogen abstraction of camphor. Journal of Computational Chemistry, 27, 1324-1337. doi:10.1002/jcc.20398.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-92CD-D Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-3232-9

Genre: Journal Article

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Creators:
Altun, A.¹, Author
Shaik, S.², Author
Thiel, W.¹, Author

Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590
2Hebrew Univ Jerusalem, Dept Organ Chem, IL-91904 Jerusalem, Israel.; Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Computat Quantum Chem, IL-91904 Jerusalem, Israel., ou_persistent22

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Free keywords: QM/MM calculations; cytochrome P450; H-abstraction reaction; camphor; compound I

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Language(s): eng - English

Dates: Date issued: 2006

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 299367
DOI: 10.1002/jcc.20398
ISI: 000239072600008

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Title: Journal of Computational Chemistry

Alternative Title : J. Comput. Chem.

Source Genre: Journal

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Pages: - Volume / Issue: 27 Sequence Number: - Start / End Page: 1324 - 1337 Identifier: ISSN: 0192-8651