Subject: Workshop: Virtual Screening

From: "Workshop: Virtual Screening" <[email-masked]>
Date: Fri, 10 Jul 1998 19:27:57 +0200

Dear Colleagues,

we want to announce a Workshop on Virtual Screening,
Schloss Rauischholzhausen, March 15-18, 1999, Germany

Virtual Screening has emerged as a prospective alternative to
high-throughput screening. This computer method is by no
means yet mature, however it is important to seriously develop
and expand its scope and to learn  about its limitations.
Different techniques are involved. First of  all, the handling
and screening of large databases that involves  clustering and
similarity searching. Once a reduced selection has  been obtained
either docking or molecular superposition methods  come into
play. Alternatively, libraries based on combinatorial  principles
>from combinatorial chemistry or NMR evidence can  be screened
for complementarity with a given binding site or similarity with a
set of given lead structures. Computational speed and reliable
scoring functions either for docking or molecular superposition
are essential in virtual screening.

We think time is ripe to hold a workshop on this topic. The idea is to
get leading experts (about 70) together at a pleasant place in a very
informal atmosphere. We have reserved a castle near Marburg, about
80km from Frankfurt/M.at March 15th to 18th, 1999.

If you want to know more about this meeting and you are interested
to sign up  please consider the web page

             http://pc1664.pharmazie.uni-marburg.de/workshop99/

for further information.

Best regards,

Hans-Joachim Boehm,
Thomas Lengauer and
Gerhard Klebe