Drug design.

DS dons at hamilton.math.missouri.edu
Fri Jul 31 15:38:12 EST 1998


I am a math graduate student and working with one of the theoretical
chemist at
the university here I developed a multipole algorithm for calculating
coulomb
interactions.  With some modifications, this method can be used as a
rapid 
screening procedure for the electrostatic version of the docking
problem.  
The chemist that I am working with feels that this is a very important
problem 
in the area of drug design and that I should pursue it further.  In
helping me 
to decide if I should pursue this, I was wondering if someone could
briefly 
summarize the state of the art in this field.



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