Name
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. |
Year | DOI | Venue |
|---|---|---|
2014 | 10.1021/ci500325b | JOURNAL OF CHEMICAL INFORMATION AND MODELING |
Field | DocType | Volume |
Discretization,Crystallography,Data analysis,Carbohydrate conformation,Pyranose,Combinatorial chemistry,Chemistry,Crystal structure,Molecular dynamics,Geometry,Distortion,Pyran | Journal | 54 |
Issue | ISSN | Citations |
10 | 1549-9596 | 0 |
PageRank | References | Authors |
0.34 | 1 | 3 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Spandana Makeneni | 1 | 1 | 0.70 |
| Bethany Lachele Foley | 2 | 1 | 0.70 |
| Robert J Woods | 3 | 485 | 39.49 |