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On the use of volume maps in the conformational analysis of vitamin D analogs
1University of Gent, Department of Organic Chemistry, Belgium.
Bioorganic & Medicinal Chemistry Letters
|January 1, 1999
Abstract:
Dot maps used to represent the calculated conformations of the side chain of vitamin D derivatives are improved by replacing dots by coloured balls to create volume maps and to identify particular energy windows. Two procedures to define a relative activity volume, based on a pair of analogs with distinctly different biological activity and conformational behaviour, are presented.