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Calculation of the minimum energy conformation of biomolecules using a global optimization technique. III. Conformation of acetylcholine using molecular fragments

โœ Scribed by Gita Subba Rao; R.S. Tyagi; R.K. Mishra


Book ID
107824514
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
290 KB
Volume
98
Category
Article
ISSN
0022-5193

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Calculation of the minimum energy confor
โœ Gita Subba Rao; R. S. Tyagi; R. K. Mishra ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 276 KB

## Abstract The conformational energy of acetylcholine is minimized with respect to the distances between nonbonded atoms with the help of the Bremermann method of unconstrained global optimization. The set of distances for which the energy is the absolute minimum is then used to calculate the coor