Workshop on Virtual Screening

Marco Bocola bocola at mailer.uni-marburg.de
Thu Jul 16 22:55:18 EST 1998


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




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