A General Boundary Potential for Hybrid QM/MM Simulations of Solvated 
Biomolecular Systems

Benighaus, T.; Thiel, W.

doi:10.1021/ct900437b

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A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems

Benighaus, T., & Thiel, W. (2009). A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems. Journal of Chemical Theory and Computation, 5, 3114-3128. doi:10.1021/ct900437b.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-8E6F-2 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-2E9C-F

Genre: Journal Article

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Creators:
Benighaus, T.¹, Author
Thiel, W.¹, Author

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

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Language(s): eng - English

Dates: Date issued: 2009

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 460113
DOI: 10.1021/ct900437b
ISI: 000271522500022

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Title: Journal of Chemical Theory and Computation

Alternative Title : J. Chem. Theory Comput.

Source Genre: Journal

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Pages: - Volume / Issue: 5 Sequence Number: - Start / End Page: 3114 - 3128 Identifier: ISSN: 1549-9618