Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 619, Issue -, Pages 1-20Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0166-1280(01)00765-5
Keywords
phospholipids; triglycerides; numbering systems; molecular computations
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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. (C) 2002 Elsevier Science B.V. All rights reserved.
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