A. M. Liquori, A. Damiani, J. D. de Coen
Apr 28, 1968
Citations
0
Influential Citations
44
Citations
Journal
Journal of molecular biology
Abstract
Abstract The results of a conformational analysis of the acetylcholine molecule are presented in terms of van der Waals pairwise interactions between non-bonded atoms and 3-fold torsional potentials. Four conformations, one of which corresponds to the experimental conformation found in acetylcholine-bromide crystals, have energies separated by less than 1 kcal./mole. These results appear to provide an explanation for the discrepancies between X-ray data on the crystal and the results of nuclear magnetic resonance studies in solution.