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Effects of solvent on the conformation and the collective motions of a protein. 3. Free energy analysis by the extended RISM theory

✍ Scribed by Kitao, Akio; Hirata, Fumio; Go, Nobuhiro


Book ID
121464320
Publisher
American Chemical Society
Year
1993
Tongue
English
Weight
638 KB
Volume
97
Category
Article
ISSN
0022-3654

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Conformational state-specific free energ
✍ Zhixiong Lin; Wilfred F. Van Gunsteren; Haiyan Liu πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 324 KB

## Abstract The one‐step free energy perturbation approach can be applied to obtain conformational state‐specific free energy differences (FEDs) associated with changes in force field parameters, and thus offers the possibility to consider conformational equilibria during force field parameterizati