HIV-inhibitors

[siroiss -8 at 8- cerca.umontreal.ca (Suzane Sirois)]

 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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