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Hydration free energies of nucleic acid bases using an ab initio continuum model

✍ Scribed by Phillip E. Young; Ian H. Hillier

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
303 KB
Volume
215
Category
Article
ISSN
0009-2614

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✦ Synopsis

The self-consistent reaction field model, implemented within an ab initio MO framework, predicts the relative solvation energies of four methylated nucleic acid bases in close agreement with OPLS PEP calculations, in contrast to AMBER PEP results and the predictions of the semi-empirical AM lSM2 method.

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