Abstract
The stereochemical structure of the A and B forms of valinomycin and their hydration were investigated by theoretical conformational analysis and by the Monte Carlo method. It was found that the aqueous phase has a predominant role in the stabilization of the B form. An analytical method is proposed for calculation of the conformational energy gradient of a random molecule.
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 23, No. 3, pp. 360–365, May–June 1987.
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Khutorskii, V.E., Kamenchuk, A.A. & Shcheckhin, I.E. Theoretical investigation of the stereochemical structure of valinomycin and its hydration. Theor Exp Chem 23, 334–339 (1987). https://doi.org/10.1007/BF00531390
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DOI: https://doi.org/10.1007/BF00531390