Tuesday, 9/9/2003
8:30 AM - 5:20 PM  Javits Convention Center  1E21, Oral

CINF

Herman Skolnik Award Symposium: Crystallographic Databases and their Applications

Organized by: Frank H. Allen
 

8:30 AM

       

 

 Introductory Remarks
Frank H. Allen  		 

8:40 AM

       

65

 The Cambridge Structural Database (CSD) and its research applications in structural chemistry
   		 

9:20 AM

       

66

 Data mining of crystallographic databases as an aid to drug design
Robin Taylor  		 

10:00 AM

       

 

 Intermission
   		 

10:20 AM

       

67

 The evolution of the Protein Data Bank
Helen M. Berman John D. Westbrook, Philip E. Bourne, Gary L. Gilliland, Judith L. Flippen-Anderson, PDB Team		 

11:00 AM

       

68

 The Protein Data Bank (PDB) as a research tool
Philip E. Bourne John D. Westbrook, Helen M. Berman, Gary L. Gilliland, Judith L. Flippen-Anderson, PDB Team		 

11:40 AM

       

 

 Lunch Break
   		 

2:00 PM

       

69

 When can fractional crystallization be expected to fail? Information from the Cambridge Structural Database
Carolyn P. Brock  		 

2:40 PM

       

70

 Applications of the Cambridge Structural Database to molecular inorganic chemistry
A. G. Orpen  		 

3:20 PM

       

 

 Intermission
   		 

4:00 PM

       

71

 Materials informatics: Knowledge acquisition for materials design
John R. Rodgers  		 

4:40 PM

       

72

 First principles calculated databases for the prediction of intermetallic structure
Gerbrand Ceder Stefano Curtarolo, Dane Morgan, John R. Rodgers