From alain.kessi {*at*} psi.ch  Thu Oct 31 05:17:53 1996
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Date: Thu, 31 Oct 1996 10:43:52 +0100
From: Alain Kessi <alain.kessi {*at*} psi.ch>
Organization: Paul Scherrer Institut, Zuerich, Switzerland
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To: "Dr. Bruno Manunza" <bruno%!at!%antas.agraria.uniss.it>,
        Alexandros Alexidis <alexidis -A_T- olymp.ccf.auth.gr>
Cc: CCL Computational Chemistry List <chemistry*- at -*www.ccl.net>
Subject: Re: CCL:Looking for the YAK program
References: <Pine.A32.3.91.961031001313.13519A-100000%!at!%antas.agraria.uniss.it>
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Dr. Bruno Manunza wrote:
> Yeti and Yak molecular mechanics and display programs for receptor
> modeling with special treatment of h-bonding. Contact: Angelo Vedani,
> Biographics Laboratory, Swiss Institute for Alternatives to Animal
> Testing, Aeschstrasse 14, CH-4107 Ettingen, Switzerland, E-mail:
> vedani _-at-_)czheth5a.bitnet

I very much doubt that you'll reach Angelo Vedani by e-mail at the above
address, since Bitnet has been inoperative in Switzerland for some years
now. The postal address I have (from November 1995) for the laboratory
is

SIAT Biographics Laboratory, Missionsstr. 60, CH-4055 Basel, Switzerland
Tel (061) 321 05 33 
Fax (061) 321 05 40 

You may want to look at the Yak page

http://www.pharma.ethz.ch/text/research/cadd/yak.html

and check the paper by Angelo Vedani (written when he was at the
University of Kansas),

YETI: An Interactive Molecular Mechanics Program for Small-Molecule
Protein Complexes, Journal of Computational Chemistry, Vol. 9, No. 3,
269-280 (1988)

The Yak reference is

Vedani, A.; Zbinden, P.; Snyder, J.P. Pseudoreceptor modeling: A New
Concept for the Three-dimensional Construction of Receptor Binding
Sites. J. Receptor Res., 1993, 13, 163-177. 

An application of Yak is described in

Snyder, J.P.; Rao, S.N.; Koehler, K.F.; Vedani, A. Minireceptors and
Pseudoreceptors. In 3D QSAR in Drug Design. Theory, Methods and
Applications, Kubinyi, H., Ed.; Escom: Leiden, 1993, pp. 336-354. 

Hope this helps ...

Alain Kessi

-- Alain Kessi (alain.kessi # - at - # psi.ch), at Paul Scherrer Institut, Zurich
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