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Solvation Free Energy of Amino Acids and Side-Chain Analogues

✍ Scribed by Chang, Jaeeon; Lenhoff, Abraham M.; Sandler, Stanley I.

Book ID
120388186
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
261 KB
Volume
111
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES

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## Abstract The ability of the GROMOS96 force field to reproduce partition constants between water and two less polar solvents (cyclohexane and chloroform) for analogs of 18 of the 20 naturally occurring amino acids has been investigated. The estimations of the solvation free energies in water, in

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## Abstract Electrostatic free energies of solvation for 15 neutral amino acid side chain analogs are computed. We compare three methods of varying computational complexity and accuracy for three force fields: free energy simulations, Poisson‐Boltzmann (PB), and linear response approximation (LRA)