Common system setup for the entire catalytic cycle of cytochrome P450cam in 
quantum mechanical/molecular mechanical studies

Zheng, J. J.; Altun, A.; Thiel, W.

doi:10.1002/jcc.20701

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Common system setup for the entire catalytic cycle of cytochrome P450_cam in quantum mechanical/molecular mechanical studies

Zheng, J. J., Altun, A., & Thiel, W. (2007). Common system setup for the entire catalytic cycle of cytochrome P450_cam in quantum mechanical/molecular mechanical studies. Journal of Computational Chemistry, 28, 2147-2158. doi:10.1002/jcc.20701.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-9135-9 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-3149-1

Genre: Journal Article

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Creators:
Zheng, J. J.¹, Author
Altun, A.¹, Author
Thiel, W.¹, Author

Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Free keywords: cytochrome P450; molecular dynamics; solvation; protein interior cavity; QM/MM calculations

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Language(s): eng - English

Dates: Date issued: 2007

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 336770
DOI: 10.1002/jcc.20701
ISI: 000248967300008

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Title: Journal of Computational Chemistry

Alternative Title : J. Comput. Chem.

Source Genre: Journal

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Pages: - Volume / Issue: 28 Sequence Number: - Start / End Page: 2147 - 2158 Identifier: ISSN: 0192-8651