ArticleJournal of chemical information and modeling2014
BFMP: a method for discretizing and visualizing pyranose conformations.
Article in Journal of chemical information and modeling, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Generating 3D models of complex carbohydrates with GLYCAM-Web.Nature methods · 2026Article
- In-Depth Molecular Dynamics Study of All Possible Chondroitin Sulfate Disaccharides Reveals Key Insight into Structural Heterogeneity and Dynamism.Biomolecules · 2022Article
- 3-Computational and structural biotechnology journal · 2022Article
- Comparison of cellooligosaccharide conformations in complexes with proteins with energy maps for cellobiose.Carbohydrate polymers · 2021Article
- Three-Dimensional Structures of Carbohydrates and Where to Find Them.International journal of molecular sciences · 2020Review
- Molecular Simulations of Carbohydrates with a Fucose-BindingFrontiers in pharmacology · 2017Article
- Vina-Carb: Improving Glycosidic Angles during Carbohydrate Docking.Journal of chemical theory and computation · 2016Article
- Solution NMR characterization of chemokine CXCL8/IL-8 monomer and dimer binding to glycosaminoglycans: structural plasticity mediates differential binding interactions.The Biochemical journal · 2015Article
- Perspective on computational simulations of glycosaminoglycans.Wiley interdisciplinary reviews. Computational molecular scienceArticle
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Authors and funding
3 authors.
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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.
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