QM/MM methods for biological systems

Senn, H. M.; Thiel, W.

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QM/MM methods for biological systems

Senn, H. M., & Thiel, W. (2007). QM/MM methods for biological systems. In M. Reiher (Ed.), Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations (pp. 173-290). Berlin: Springer-Verlag.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-922B-8 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-922C-6

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Creators:
Senn, H. M.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: QM/MM; combined quantum mechanics/molecular mechanics; optimization; molecular dynamics; molecular simulations; free-energy methods; enzymatic mechanisms

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Language(s): eng - English

Dates: Date issued: 2007

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 339778
ISI: 000244864400005
URI: http://www.springerlink.com/content/c562j05wk5553075/fulltext.pdf

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Title: Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations

Source Genre: Book

Creator(s):
Reiher, M., Editor

Affiliations:
-

Publ. Info: Berlin : Springer-Verlag

Pages: - Volume / Issue: - Sequence Number: - Start / End Page: 173 - 290 Identifier: -

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Title: Topics in Current Chemistry

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Pages: - Volume / Issue: 268 Sequence Number: - Start / End Page: - Identifier: ISSN: 0340-1022