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2020
The Point of The Exercise A flexible molecule will spend more time in its lowest energy conformation. Sometimes, a molecule has to adopt a particular conformation in order to undergo reaction.
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The Point of The Exercise A flexible molecule will spend more time in its lowest energy conformation. Sometimes, a molecule has to adopt a particular conformation in order to undergo reaction.
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Conformation analysis of eel calcitonin
European Journal of Biochemistry, 1998The solution structure of eel calcitonin in a mixture of 60 % water and 40 % trifluoroethanol has been determined in this study by the combined use of 1H‐NMR spectroscopy and distance geometry calculations. 1H‐NMR spectroscopy provided 181 distance constraints, 5 dihedral angle constraints and 14 hydrogen bond constraints.
K, Ogawa +6 more
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Conformational analysis of 1,4-heterophosphinanes
Russian Journal of General Chemistry, 2007Structure of 1,4-heterophosphinanes in solution was studied by the methods of dipole moments, Kerr effect, molecular mechanics, and density functional theory calculations. It was determined that chair conformation with an equatorial orientation of the exocyclic phenyl substituent is preferred for 1,4-heterophosphinanes independent of the second ...
Vereshchagina Y. +4 more
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Conformational analysis of xylan chains
Carbohydrate Research, 2005The present study provides a theoretical description of the different levels of structural organization that characterize the xylan polysaccharide in its native and hydrophobic lauroyl esterified forms. The goal of this study was to ascertain the role played by the hydroxyl or lauroyl side groups on the conformational flexibility of the xylan chain ...
Mazeau, Karim +3 more
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Conformational energy analysis of melanostatin
International Journal of Peptide and Protein Research, 1982Conformational energy calculations were carried out on the hypothalamic hormone melanostatin, a tripeptide with the primary structure H‐L‐Pro‐L‐Leu‐Gly‐NH2. The calculated lowest energy conformation was a type II β bend, very similar to that reported in an X‐ray crystal study.
S S, Zimmerman, R, Baum, H A, Scheraga
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Clustering analysis of Enkephalin conformations
Biochemical and Biophysical Research Communications, 1982Abstract A combination of a Monte-Carlo sampling, a clustering method, and a minimization algorithm is proposed for the calculation of conformational properties of molecules in solutions. This approach is applied to the determination of stable conformations of the peptide hormone Enkephalin in solution and it gives good agreement with experimental ...
B, Maigret, S, Premilat
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On the hydrodynamic analysis of macromolecular conformation
Biophysical Chemistry, 1995Hydrodynamics provides a powerful complementary role to the traditional "high resolution" techniques for the investigation of macromolecular conformation, especially in dilute solution, conditions which are generally inaccessible to other structural techniques.
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Journal of the Chemical Society, Perkin Transactions 2, 2002
Raymond J. Abraham +2 more
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Raymond J. Abraham +2 more
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