Simulation of the solvation free energies for methane, ethane, and propane and corresponding amino acid dipeptides: a critical test of the bond-PMF correction, a new set of hydrocarbon parameters, and the gas phase-water hydrophobicity scale

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Bibliographic Details
Published in:Journal of the American Chemical Society 1992-08, Vol.114 (17), p.6798-6801
Main Authors: Sun, Yaxiong, Spellmeyer, David, Pearlman, David A, Kollman, Peter
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
Solutions
Solvation. Solvent properties
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ISSN:0002-7863
1520-5126
DOI:10.1021/ja00043a027