Sunday, 3/25/2007
8:15 AM - 12:20 PM  Hyatt Regency McCormick  10 C/D, Oral

COMP

Computer Assisted Drug Design: Reminiscing about the Future. A Symposium Honoring Yvonne C. Martin

Organized by: Alexander Tropsha
Presiding: Osman F. Guner, Alexander Tropsha

8:15 AM

 

             

 

 

 Introductory Remarks
   		 

8:30 AM

 

             

 

7

 Using knowledge on chemical reactions for drug design
Johann Gasteiger  		 

9:00 AM

 

             

 

8

 Experimental and computational approaches to measuring compound reactivity
Philip Hajduk  		 

9:30 AM

 

             

 

9

 Drug Guru: A new kind of computational tool for medicinal chemists
Kent Stewart  		 

10:00 AM

 

             

 

 

 Intermission
   		 

10:20 AM

 

             

 

10

 Pushing the boundaries of 3D-QSAR
Richard D. Cramer  		 

10:50 AM

 

             

 

11

 Outliers in SAR and QSAR: What are the possible sources?
Ki H. Kim  		 

11:20 AM

 

             

 

12

 Do multi-conformer queries enhance three-dimensional lead hopping?
Steven W. Muchmore Yvonne C. Martin		 

11:50 AM

 

             

 

13

 Advances in conformational sampling
Dimitris K. Agrafiotis Fangqiang Zhu, Sergei Izrailev, Alan Gibbs, Eric Martin