Molecular Dynamics Study of Nitrogen-Pyramidalized Bicyclic β-Proline Oligomers. Length-Dependent Convergence to Organized Structures
Y Otani, S Watanabe, T Ohwada…
Index: Hosoya, Masahiro; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko Journal of the American Chemical Society, 2010 , vol. 132, # 42 p. 14780 - 14789
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Abstract
In this study, the solution structures of the homooligomers of a conformationally constrained bicyclic proline-type β-amino acid were studied by means of molecular dynamics (MD) calculations in explicit methanol and water using the umbrella sampling method. The ratio of
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