Journal article
Molecular computations on lipids: a numbering system for phospholipids and triglyceride
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.
Authors
Law JMS; Chass GA; Torday LL; Varro A; Papp JG
Journal
Computational and Theoretical Chemistry, Vol. 619, No. 1-3, pp. 1–20
Publisher
Elsevier
Publication Date
12 2002
DOI
10.1016/s0166-1280(01)00765-5
ISSN
2210-271X