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Hydration of amphotericin B by the Monte Carlo method

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Abstract

The hydration of the polyene antibiotic amphotericin B, which forms channels in phospholipid membranes, was investigated by the Monte Carlo method. The energy and structural characteristics of the hydration of the molecule and its three main sections (polar, channel-forming, and polyene) were established. The important role of the aqueous phase in the orientational stabilization of the molecules of amphotericin B in the channel complex was demonstrated.

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Literature cited

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Authors and Affiliations

  1. Institute of Organic Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev

    V. E. Khutorskii & A. A. Kamenchuk

Authors
  1. V. E. Khutorskii
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  2. A. A. Kamenchuk
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Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 24, No. 1, pp. 104–107, January–February, 1988.

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Khutorskii, V.E., Kamenchuk, A.A. Hydration of amphotericin B by the Monte Carlo method. Theor Exp Chem 24, 97–99 (1988). https://doi.org/10.1007/BF01392198

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  • DOI: https://doi.org/10.1007/BF01392198

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