Solution conformation of gramicidin S: An intramolecular nuclear Overhauser effect study | Zendy

DeeHua Huang | Zendy; Roderich Walter | Zendy; Jerry D. Glickson | Zendy; N. Rama Krishna | Zendy

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Solution conformation of gramicidin S: An intramolecular nuclear Overhauser effect study

Author(s) -

DeeHua Huang,

Roderich Walter,

Jerry D. Glickson,

N. Rama Krishna

Publication year - 1981

Publication title -

proceedings of the national academy of sciences

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.011

H-Index - 771

eISSN - 1091-6490

pISSN - 0027-8424

DOI - 10.1073/pnas.78.2.672

Subject(s) - nuclear overhauser effect , gramicidin s , intramolecular force , chemistry , macromolecule , dimethyl sulfoxide , deuterium , gramicidin , computational chemistry , nuclear magnetic resonance spectroscopy , stereochemistry , physics , organic chemistry , atomic physics , biochemistry , membrane

The solution conformation of gramicidin S in deuterated dimethyl sulfoxide was investigated by using the intramolecular nuclear Overhauser effect experiment. Experimental Overhauser enhancements were compared with predicted values for each of the nine most-stable conformations (M1-M9) calculated by Dygertet al . on the basis of energy-minimization procedures [Dygert, M., Gō, N. & Scheraga, H. A. (1975)Macromolecules 8, 750-761]. By using statistical hypothesis testing, the three lowest-energy conformations (M1, M2, and M3) were shown to give the best fit with the experimental data. All other conformations (M4-M9) were found to be inconsistent with the experimental data.

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