Wednesday, 3/16/2005
8:50 AM - 11:30 AM  Convention Center   2, Oral

COMP

Applications of Information Theory in Chemistry

Organized by: Veerabahu Shanmugasundaram
 

8:50 AM

       

 

 Introductory Remarks
   
 

9:00 AM

       

264

 A natural amino acid classification scheme derived from multiple sequence alignments
Eric B. Fauman  
 

9:30 AM

       

265

 Algorithmic complexity of protein structure alignment
Greg Dewey Yuting Jia
 

10:00 AM

       

266

 Information theory and macromolecular structure
Irwin D. Kuntz Tiba Aynechi
 

10:30 AM

       

267

 Shannon entropy as a local surface property
Tim Clark  
 

11:00 AM

       

268

 Group Entropy analysis and hybrid Quantum Mechanical/Molecular Mechanical simulations for elucidation of enzyme function
Troy Wymore Hugh B Nicholas, John Hempel, David W Deerfield II