Conformational Analysis of Flexible Molecules: Location of the Global Minimum Energy Conformation by the Simulated Annealing Method

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Abstract

A new computational method for the location of the lowest energy conformation of flexible molecules is reported. The technique, called simulated annealing, is discussed and several applications are described.

A new approach for finding the lowest energy conformation of flexible molecules is reported. Examples are tetrahydroionone, arachidonic acid and exkephalin.

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