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A note on the conformational flexibility of the antiestrogenic drug tamoxifen: preferred conformations in the free state and bound to the protein calmodulin

✍ Scribed by Edwards, K. J. ;Laughton, C. A. ;Neidle, S.


Book ID
114514810
Publisher
International Union of Crystallography
Year
1992
Tongue
English
Weight
372 KB
Volume
48
Category
Article
ISSN
0108-7681

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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