Research Catalog
NMR spectroscopy and computer modeling of carbohydrates : recent advances
- Title
- NMR spectroscopy and computer modeling of carbohydrates : recent advances / Johannes F.G. Vliegenthart, editor, Robert J. Woods, editor.
- Publication
- Washington, DC : American Chemical Society : Distributed by Oxford University Press, [2006], ©2006.
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| Status | Format | Access | Call Number | Item Location |
|---|---|---|---|---|
| Text | Request in advance | QP519.9.N83 N694 2006 | Off-site |
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Details
- Additional Authors
- Description
- xiii, 337 pages, 22 unnumbered pages of plates : illustrations (some color); 24 cm.
- Series Statement
- ACS symposium series ; 930
- Uniform Title
- ACS symposium series ; 930.
- Subjects
- Note
- Based on contributions to an American Chemical Society symposium in 2004.
- Bibliography (note)
- Includes bibliographical references and indexes.
- Contents
- 1. Introduction to NMR of carbohydrates / Johannes F. G. Vliegenthart -- 2. Conformational dynamics of oligosaccharides : techniques and computer simulations / Jennie L. M. Jansson, Arnold Maliniak and Goran Widmalm -- 3. Structure and dynamics of carbohydrates using residual dipolar couplings / James H. Prestegard and Xiaobing Yi -- 4. Protein-carbohydrate interactions : a combined theoretical and NMR experimental approach on carbohydrate-aromatic interactions and on pyranose ring distortion / Jesus Jimenez-Barbero, F. Javier Canada, Gabriel Cuevas, Juan L. Asensio, Nuria Aboitiz, Angeles Canales, M. Isabel Chavez, M. Carmen Fernandez-Alonso, Alicia Garcia-Herrero, Silvia Mari and Paloma Vidal -- 5. Laser photo CIDNP technique as a versatile tool for structural analysis of inter- and intramolecular protein-carbohydrate interactions / Hans-Christian Siebert, Emad Tajkhorshid, Johannes F. G. Vliegenthart, Claus-Wilhelm von der Lieth, Sabine Andre and Hans-Joachim Gabius -- 6. Hydroxy protons in structural studies of carbohydrates by NMR spectroscopy / Corine Sandstrom and Lennart Kenne -- 7. Oligosaccharides and cellulose crystal surfaces : computer simulations / Bas R. Leeflang, J. Albert van Kuik and Loes M. J. Kroon-Batenburg -- 8. Biomolecular dynamics : testing microscopic predictions against macroscopic experiments / Andrew Almond -- 9. Structural insights : towards a molecular comprehension of the GH13 amylase specificity / Gwenaelle Andre-Leroux -- 10. QM/MM simulations in carbohydrates / Abdul-Mueed Muslim, Jonathan P. McNamara, Hoda Abdel-Aal, Ian H. Hillier and Richard A. Bryce -- 11. Predicting the three-dimensional structures of anti-carbohydrate antibodies : combining comparative modeling and MD simulations / Jane Dannow Dyekjaer and Robert J. Woods -- 12. Carbohydrate structure from NMR residual dipolar couplings : is there a correlation between lactose's anomeric configuration and its three-dimensional stucture? / Daron I. Freedberg, Susan O. Ano, Scott E. Norris and Richard M. Venable -- 13. Incorporation of carbohydrates into macromolecular force fields : development and validation / Sarah M. Tschampel, Karl N. Kirschner and Robert J. Woods -- 14. Docking carbohydrates to proteins : empirical free energy functions / Alain Laederach -- 15. Molecular modeling of carbohydrates with no charges, no hydrogen bonds, and no atoms / Valeria Molinero and William A. Goddard III -- 16. Molecular modeling of retaining glycosyltransferases / Igor Tvaroska -- 17. Two unexpected effects found with 2, 3, 4, 6-tetra-O-methyl-D-gluco- and mannopyranosyl oxacarbenium ions : an O-2 pseudo-equatorial preference and a large H-2-C-2 - O-2-CH[subscript 3] syn preference / Andrei Ionescu, LiJie Wang, Marek Z. Zgierski, Tomoo Nukada and Dennis M. Whitfield.
- ISBN
- 0841239533 (alk. paper)
- LCCN
- 2005044892
- 9780841239531
- OCLC
- ocm62408776
- SCSB-5261059
- Owning Institutions
- Columbia University Libraries