Conformational State-Specific Free Energy Differences by One-Step Perturbation: Protein Secondary Structure Preferences of the GROMOS 43A1 and 53A6 Force Fields

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Author

Date

2011-07

Type

Journal Article

ETH Bibliography

yes

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Publication status

published

External links

Journal / series

Journal of Computational Chemistry

Volume

32(10)

Pages / Article No.

2290 - 2297

Publisher

Wiley

Subject

Molecular dynamic (MD) simulation; Free energy calculation; One-step perturbation; Force field development; GROMOS force field

Organisational unit

03304 - Van Gunsteren, Wilfred F. (emeritus)

Notes

Received 23 December 2010, Revised 5 March 2011, Accepted 21 March 2011, Published online 03 May 2011.

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