Molecular Mechanics' Interpretation of Polypeptide Fragmentation From Dissociative Mass Spectrometry

Contents

1. Molecular Mechanics/Mass Spectrometry
   
   
2. Why Modeling
   
   
3. Factors Affecting the Fragmentation Spectra of Protonated Peptides
   
   
4. Sequence Specific Fragments: Formed by amide bond cleavage
   
   
5. Fragmentation Curves from MS Data
   
   
6. Assumptions for Modeling
   
   
7. Molecular Mechanics Methods
   
   
8. Simulated Annealing Methods
   
   
9. How does type of acidic amino acid influence fragmentation?
   
   
10. Mechanism consistent with site specific fragmentations promoted by C* and D residues
    
    
11. Why doesn't glutamic acid (E) promote site specific fragmentation?
    
    
12. Typical Fragments Produced by Dissociation Experiments
    
    
13. MM2 H-bonds
    
    
14. Fragmentation Curves for Selected Polypeptides
    
    
15. Mass Spectra of Glutamic Acid Polypeptide
    
    
16. Mass Spectra of Aspartic Acid Polypeptide
    
    
17. Mass Spectra of Cysteic Acid
    
    
18. Conclusions
    
    
19. Acknowledgments
    
    

Last updated:
December 30, 2008 (Tuesday)