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Hydration structure of -NH +2 and -COO of L-proline zwitterion from data of 1D-RISM integral equation method

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Abstract

The hydration structure of hydrophilic groups of L-proline zwitterion is studied by means of the 1D-RISM integral equation method. The structural parameters of hydration and features of hydrogen bonding between water and -NH +2 and -COO groups are discussed.

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Correspondence to M. V. Fedotova.

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Original Russian Text © M.V. Fedotova, O.A. Dmitrieva, 2014, published in Zhurnal Fizicheskoi Khimii, 2014, Vol. 88, No. 5, pp. 801–804.

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Fedotova, M.V., Dmitrieva, O.A. Hydration structure of -NH +2 and -COO of L-proline zwitterion from data of 1D-RISM integral equation method. Russ. J. Phys. Chem. 88, 794–797 (2014). https://doi.org/10.1134/S0036024414050070

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  • DOI: https://doi.org/10.1134/S0036024414050070

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