From:	siroiss.,at,.cerca.umontreal.ca (Suzane Sirois)
Date:	Sat, 4 Sep 1993 04:32:31 -0500 (EDT)
Subject:	HIV-inhibitors

Hi, dear netters,

I have optimised the geometry of nevirapine, a novel highly specific
inhibitor of HIV-1 reverse transcriptase, with a DFT program.
Recently there was a publication in Science of the X-ray structure
of the reverse transcriptase bound with nevirapine

L.A.Kohlstaedt & al. Crystal structure at 3.5A resolution of HIV-1
reverse transcriptase complexed with an inhibitor, Science,vol.256,
1783-1789,(26 june 1992)

My question is : is anybody has the pdb file of that structure
I would like to calculate on the allosteric site bound with the
inhibitor with DFT while the rest of the complex will be treated
by ESP.
I thank you in advance
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