Subject: First call for papers: Anaheim ACS, session on Conformational Analysis

From: Andrew Smellie <[email-masked]>
Date: Tue, 23 Jun 1998 08:43:01 -0700

Dear All,

I'm organizing a session at the Anaheim ACS in April '98 devoted to
conformational analysis (CA).
It's time there was session on this subject, since CA forms the basis of
so many compuational
chemistry problems (hypothesis and pharmacophore generation, database
searching, docking etc).

I'd like to make this a lively session that focuses not only on CA
algorithms, but also examines
the problem domain and identifies the problems to be solved, the metrics
used to measure
success and future directions.

If you are interested in participating, please send me an email
describing your proposed talk.

Below is the short abstract I submitted to the ACS recently, and I very
much look forward
to your participation in this session.

I will be out of the office on vacation from 6/29 to 7/12, but will
respond asap.

Session Title: Conformational Analysis: Stepping up to the new
challenges.
The interest in processing millions of compounds from high-throughput
screening and combinatorial
or virtual libraries has placed new demands on the ability to
conformationally analyze large
numbers of molecules. Often the generation of good low-energy
conformations for these large
datasets is the major bottleneck in deducing 3D information from these
molecules. This session
focuses on models, tools and techniques for deriving 3D information from
large numbers of molecules.

Andrew Smellie.
(650)-842-0560
[email-masked]