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

Stephen R. Wilson, Weili Cui, Jules W. Moskowitz, Kevin E. Schmidt

Research output: Contribution to journalArticle

109 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)4373-4376
Number of pages4
JournalTetrahedron Letters
Volume29
Issue number35
DOIs
StatePublished - 1988

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ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

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