title: BFMP: a method for discretizing and visualizing pyranose conformations.
abstract: We report a new classification method for pyranose ring conformations called Best-fit, Four-Membered Plane (BFMP), which describes pyranose ring conformations based on reference planes defined by four atoms. The method is able to characterize all asymmetrical and symmetrical shapes of a pyran ring, is readily automated, easy to interpret, and maps trivially to IUPAC definitions. It also provides a qualitative measurement of the distortion of the ring. Example applications include the analysis of data from crystal structures and molecular dynamics simulations.
authors.affiliation: Complex Carbohydrate Research Center, University of Georgia , 315 Riverbend Road, Athens, Georgia 30602, United States.
authors.forename: Spandana
authors.initials: S
authors.lastname: Makeneni
authors.forename: B Lachele
authors.initials: BL
authors.lastname: Foley
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Woods
mesh_terms: D000465:Algorithms; D000470:Alkaloids / Q000737:chemistry; D000970:Antineoplastic Agents / Q000737:chemistry; D002236:Carbohydrate Conformation; D018360:Crystallography, X-Ray; D004791:Enzyme Inhibitors / Q000737:chemistry; D006497:Heparan Sulfate / Q000737:chemistry*; D006801:Humans; D008358:Mannose / Q000737:chemistry*; D008361:Mannosidases / Q000037:antagonists & inhibitors / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D011714:Pyrans / Q000737:chemistry*
chemical_list: D000470:Alkaloids; D000970:Antineoplastic Agents; D004791:Enzyme Inhibitors; D006497:Heparan Sulfate; D008358:Mannose; D008361:Mannosidases; D011714:Pyrans