Results 211 to 220 of about 341,897 (260)
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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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Cluster analysis of molecular conformations
Journal of Computational Chemistry, 1994AbstractWe describe a method for locating clusters of geometrically similar conformers in ensembles of chemical conformations. We first calculate the pairwise interconformational distance matrix in either torsional or Cartesian space and then use an agglomerative, single‐link clustering method to define a hierarchy of clusterings in the same space ...
Peter S. Shenkin, D. Quentin McDonald
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Genetic Algorithms in Conformational Analysis
Journal of Chemical Information and Computer Sciences, 1998A genetic algorithm-based method has been designed and shown to be effective for the conformation searching of unbranched alkanes. A measure of diversity is defined and used to investigate the best parameter settings. Except for very short alkanes, genetic algorithms are very much more effective than Monte Carlo searches.
Nikhil Nair, Jonathan M. Goodman
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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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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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