title: On the use of volume maps in the conformational analysis of vitamin D analogs.
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.
authors.affiliation: University of Gent, Department of Organic Chemistry, Belgium.
authors.forename: D
authors.initials: D
authors.lastname: Van Haver
authors.forename: P J
authors.initials: PJ
authors.lastname: De Clercq
mesh_terms: D002117:Calcitriol / Q000031:analogs & derivatives* / Q000737:chemistry*; D002151:Calorimetry; D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D013816:Thermodynamics; D014807:Vitamin D / Q000031:analogs & derivatives* / Q000737:chemistry*
chemical_list: D014807:Vitamin D; D002117:Calcitriol