HIV is always a good one...
On 14 Sep 2009, at 2:30 PM, Adrian Roitberg wrote:
> Dear all,
>
> We are in the final phase of testing a rewrite of the MMPBSA
> scripts, which are sturdier and faster.
>
> For that, I want to ask for one or two test sets that you can share
> with me.
>
> We did a number of things already, including of course the ras/raf
> example.
>
> I am really looking for a protein + 4 or 5 inhibitors, so we can
> look at a series instead of one complex only.
>
> If you have such a thing, can you contact me separately and we
> figure out what we need ?
>
> Thanks !
>
> --
> Dr. Adrian E. Roitberg
> Associate Professor
> Quantum Theory Project
> Department of Chemistry
>
> Senior Editor. Journal of Physical Chemistry
> American Chemical Society
>
> University of Florida PHONE 352 392-6972
> P.O. Box 118435 FAX 352 392-8722
> Gainesville, FL 32611-8435 Email adrian.qtp.ufl.edu
>
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Professor Kenneth M. Merz, Jr.
Colonel Allan R. and Margaret G. Crow Term Professor
Department of Chemistry
Quantum Theory Project
2328 New Physics Building
PO Box 118435
University of Florida
Gainesville, Florida 32611-8435
e-mail: merz.qtp.ufl.edu
http://www.qtp.ufl.edu/~merz
Phone: 352-392-6973
FAX: 352-392-8722
Cell: 814-360-0376
“Rule one: Never allow a crisis to go to waste. They are opportunities
to do big things.”
Mr. Rahm Emanuel
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Received on Mon Sep 14 2009 - 13:47:06 PDT
