Molecular computations on lipids

A numbering system for phospholipids and triglyceride

Jacqueline M S Law, Gregory A. Chass, Ladislaus L. Torday, A. Varró, J. 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
DOIs
Publication statusPublished - Dec 9 2002

Fingerprint

Molecular Computers
Numbering systems
Lipid A
Phospholipids
Lipids
lipids
Triglycerides
Throughput

Keywords

  • Molecular computations
  • Numbering systems
  • Phospholipids
  • Triglycerides

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics
  • Atomic and Molecular Physics, and Optics

Cite this

Molecular computations on lipids : A numbering system for phospholipids and triglyceride. / Law, Jacqueline M S; Chass, Gregory A.; Torday, Ladislaus L.; Varró, A.; Papp, J.

In: Journal of Molecular Structure: THEOCHEM, Vol. 619, 09.12.2002, p. 1-20.

Research output: Contribution to journalArticle

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AU - Papp, J.

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