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  Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes.

Goette, M., & Grubmuller, H. (2009). Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes. Journal of Computational Chemistry, 30(3), 447-456. Retrieved from http://www3.interscience.wiley.com/cgi-bin/fulltext/121357300/HTMLSTART.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0012-D8F2-8 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0027-F0BF-E
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http://onlinelibrary.wiley.com/doi/10.1002/jcc.21073/pdf (Publisher version)
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 Creators:
Goette, M.1, Author           
Grubmuller, H.1, Author           
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1Department of Theoretical and Computational Biophysics, MPI for biophysical chemistry, Max Planck Society, ou_578631              

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Free keywords: molecular dynamics; free energy calculations; thermodynamic integration; benchmark; crooks gaussian intersection; gromaes; fep; cgi; simulation; nonequilibrium simulations
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Language(s): eng - English
 Dates: 2009-02
 Publication Status: Issued
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 Identifiers: eDoc: 411991
URI: http://www3.interscience.wiley.com/cgi-bin/fulltext/121357300/HTMLSTART
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Title: Journal of Computational Chemistry
Source Genre: Journal
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Pages: - Volume / Issue: 30 (3) Sequence Number: - Start / End Page: 447 - 456 Identifier: -