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(Ebook PDF) NMR Spectroscopy and Computer Modeling of Carbohydrates Recent Advances ACS Symposium 1st Edition by Johannes Vliegenthart, Robert Woods ISBN 9780841239531 0841239533 full chapters

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NMR Spectroscopy and Computer Modeling of Carbohydrates Recent Advances ACS Symposium 1st Edition Johannes F. G. Vliegenthart Digital Instant Download

Author(s): Johannes F. G. Vliegenthart, Robert J. Woods
ISBN(s): 9780841239531, 0841239533
Edition: 1
File Details: PDF, 33.98 MB
Year: 2006
Language: english
SKU: EB-1688148 Category: Tags: ,

(Ebook PDF) NMR Spectroscopy and Computer Modeling of Carbohydrates Recent Advances ACS Symposium 1st Edition by Johannes Vliegenthart, Robert Woods-Ebook PDF Instant Download/Delivery:9780841239531, 0841239533

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ISBN 10:0841239533

ISBN 13:9780841239531

Author: Johannes F. G. Vliegenthart, Robert J. Woods 

In the past ten years, the interest in the functional and structural aspects of carbohydrates and glycoconjugates has increased enormously. Great insights have been made into the mode of action of glycans in cells, tissues, organs and organisms. As more and more information becomes known implicating carbohydrates in biological function, increasing pressure is placed on all aspects of biophysical methods to adapt and advance in order to provide structural insight into the biology of carbohydrates and conjugated glycans. Many existing tools that have served admirably to probe structure-function relationships in proteins are difficult or impossible to apply to complex glycans and glycoproteins. Established structural methods, such as X-ray diffraction or NMR spectroscopy also face enormous challenges when applied to the study of biologically relevant glycans in glycoproteins. Because of the challenges and limitations of traditional experimental methods, computational techniques can contribute unique insight into the relationship between oligosaccharide structure and biological function. Perhaps in no other field can biomolecular calculations make as major a contribution; whether they serve to provide models to assist in the interpretation of otherwise insufficient experimental data, or to provide a priory models for the structure of oligosaccharides, or insight into the mechanisms of carbohydrate recognition. From the application of quantum mechanics in the study of carbohydrate-processing enzymes, to the classical dynamics simulation of oligosaccharides and their protein complexes, the range of systems being examined theoretically is rapidly expanding. Given the structural diversity and flexibility of carbohydrates, it is not surprising that both experimental and theoretical methods face many unique challenges. Contained within this text are examples of the latest NMR and computational methods applied to oligosaccharides and their complexes with proteins.
 

Table of Contents:

  1. Introduction to NMR Spectroscopy of Carbohydrates
  2. Conformational Dynamics of Oligosaccharides: NMR Techniques and Computer Simulations
  3. Structure and Dynamics of Carbohydrates Using Residual Dipolar Couplings
  4. Protein-Carbohydrate Interactions: A Combined Theoretical and NMR Experimental Approach on Carbohydrate-Aromatic Interactions and Pyranose Ring Distortion
  5. Laser Photo CIDNP Technique as a Versatile Tool for Structural Analysis of Inter- and Intramolecular Protein-Carbohydrate Interactions
  6. Hydroxy Protons in Structural Studies of Carbohydrates by NMR Spectroscopy
  7. Oligosaccharides and Cellulose Crystal Surfaces: Computer Simulations
  8. Biomolecular Dynamics: Testing Microscopic Predictions Against Macroscopic Experiments
  9. Structural Insights: Toward a Molecular Comprehension of the GH13 Amylase Specificity
  10. QM/MM Simulations of Carbohydrates
  11. Predicting the Three-Dimensional Structures of Anti-Carbohydrate Antibodies: Combining Comparative Modeling and MD Simulations
  12. Carbohydrate Structure from NMR Residual Dipolar Couplings: Is There a Correlation Between Lactose’s Anomeric Configuration and Its Three-Dimensional Structure?
  13. Incorporation of Carbohydrates Into Macromolecular Force Fields: Development and Validation
  14. Docking Carbohydrates to Proteins: Empirical Free Energy Functions
  15. Molecular Modeling of Carbohydrates With No Charges, No Hydrogen Bonds, and No Atoms
  16. Molecular Modeling of Retaining Glycosyltransferases
  17. Two Unexpected Effects Found With 2,3,4,6-Tetra-O-Methyl-D-Gluco- and Mannopyranosyl Oxacarbenium Ions: An O-2 Pseudoequatorial Preference and a Large H-2-C-2-O-2-CH₃ Syn Preference

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NMR,Spectroscopy,Computer Modeling,Carbohydrates,Recent Advances,ACS Symposium Series,Johannes Vliegenthart,Robert Woods