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Up Directory CCL 09.05.07 Short Course: Crystallography for Modelers, May 7 & 8, Piscataway, NJ
From: chemistry-request at
To: chemistry-request at
Date: Wed Mar 4 14:01:39 2009
Subject: 09.05.07 Short Course: Crystallography for Modelers, May 7 & 8, Piscataway, NJ
The RCSB PDB will host a short course for practicing pharmaceutical/ 
biophysical modelers looking for a better understanding of crystal  
structures and PDB data.  The course will be held May 7 & 8 at  
Rutgers, The State University of New Jersey in Piscataway, NJ.

To learn more and register:

Do you use protein crystal structure data? Ever wonder why things do  
not work out as you expect? Are ligand strain energies unreasonably  
high? Does your drug candidate not appear to make the hydrogen bonds  
you expect? Is that really a water molecule in the corner of a  
binding site? Do you wonder why a side chain is in one position  
rather than another?

These questions all relate to the "quality" of the data you use. How  
"good" are the protein structures that you use? What's the error in  
atomic coordinates? How might you know if something is just plain wrong?

Crystallography for Modelers will address these issues and offer  
insight into state-of-the-art research into the quality, errors, and  
"gotchas" in crystal structure data. Designed by active users of the  
data, the instructors are experts from RCSB PDB team members, Rutgers  
researchers, and commercial software developers. It is not an  
introductory course for crystallography or modeling, but rather a  
down-and-dirty discussion of crystallographic data, precision,  
accuracy, and possible errors.

Registration is for Day 1, Day 2 or both.  Day 2 will expand on Day 1  
and offer an opportunity for hands-on learning.

Day 1: The process of crystal structure determination. Insight into  
the workings of the PDB and how "PDB" files are generated. Detailed  
examination of the extensive information (beyond coordinates)  
available in data files and online, including ligand structures.   
Proper interpretation of crystal structures, part one: accuracy,  
precision, problems and errors (experimental, real, perceived).

Day 2:  Proper interpretation of crystal structures, part two: case  
studies  with emphasis on ligand binding, position, conformation,  
loops, and missing density. Software bridging modeling and  
crystallography.  Hands-on exercises in the concepts of the course  
with public and commerical software. Software vendor showcase.

To learn more and register:

Both classes will take place at Rutgers' Busch Campus in Piscataway,  
NJ, which is easily accessible by car, train, or air.
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