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Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases.

Piotr CieplakJames W. CaldwellPeter A. Kollman
Published in: J. Comput. Chem. (2001)
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