Molecular computations on lipids: A numbering system for phospholipids and triglyceride

Jacqueline M.S. Law, Gregory A. Chass, Ladislaus L. Torday, Andras Varro, Julius Gy Papp

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A standardized numbering system is elaborated upon for the efficient generation of input data for molecular computations on phospholipids and triglycerides. The advantages of such a comprehensive system in terms of the extraction of structural data and the increase in throughput allowing for the identification of the complete set of stable conformers are discussed.

Original languageEnglish
Pages (from-to)1-20
Number of pages20
JournalJournal of Molecular Structure: THEOCHEM
Volume619
Issue number1-3
DOIs
Publication statusPublished - Dec 9 2002

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Keywords

  • Molecular computations
  • Numbering systems
  • Phospholipids
  • Triglycerides

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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