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Decomposition of the Solvation Free Energies of Deoxyribonucleoside Triphosphates Using the Free Energy Perturbation Method

✍ Scribed by Bren, Urban; Martínek, Václav; Florián, Jan

Book ID
126282450
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
257 KB
Volume
110
Category
Article
ISSN
0022-3654

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Molecular dynamics MD simulations in conjunction with the thermodynamic cycle perturbation approach has been used to calculate relative solvation free energies for acetone to acetaldehyde, acetone to pyruvic acid, acetone to 1,1,1-trifluoroacetone, acetone to 1,1,1-trichloroacetone, acetone to 2,3-b