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.
Thanks in advance.
