Hello --

It sounds like you're looking for a docking program (e.g., DOCK, AutoDock, etc.) rather than an electrostatics program such as APBS.  I would recommend trying various docking programs for this problem.

-- Nathan

On Tue, Nov 11, 2008 at 3:08 AM, Bharat Somkuwar <pharmabharat@gmail.com> wrote:
Dear all,
I have a novel natural compound n I would like to see the potential activity of the novel comp. How could I get it?
Do anybody have the pure crystal structure of Human Serum Albumin(HSA)? I would like to see the binding pattern of the novel comp.
Which approach should I follw so that it will be the effective for a particular  disease?
Thanx in advance

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Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology, Washington University in St. Louis
Web: http://cholla.wustl.edu/