Subject: Looking for mol modelling/q chem course in UK

From: Tom Hawkins <[email-masked]>
Date: Mon, 11 Oct 1999 10:31:26 +0100

Hi all,

I am looking for a short course in molecular modelling/quantum chemistry to
be held in the UK sometime in the next few months, perhaps covering the
theory and use of packages such as MOPAC. My specific interest is in
calculating theoretical parameters of small molecules for QSAR-type studies,
though not for drug design. I'd also be interested in anything on dynamic
simulations and modelling of polymers.

Thanks in advance for any suggestions,

Dr Tom Hawkins             Osmetech plc
Sensor Technologist        Electra House, Electra Way, Crewe CW1 6WZ
[email-masked]   Tel +44(0)1270 216444 Fax +44(0)1270 216030

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From: David Gallagher <[email-masked]>
Date: Mon, 11 Oct 1999 08:38:32 -0700

Hi Tom,

>[email-masked]   Tel +44(0)1270 216444 Fax +44(0)1270 216030

Fujitsu FQS (contact Jerzy M Rudzinski <[email-masked]>) is sponsoring
a series of seminars covering applications of MOPAC (including QSAR & QSPR
with MOPAC) throughout Europe later this month. Jimmy Stewart (author of
MOPAC) will be one of the speakers.

Unfortunately, the only seminar set up for England will be at the
University of Kent at Canterbury on Monday afternoon 18th October (contact
Dr Simon Holder <[email-masked]>). However, this seminar will focus
mainly on QSAR and QSPR applications of MOPAC and on some reaction
modelling with MOPAC.

If you are unable to attend, I could email the stuff on QSAR (large
Powerpoint file or just the references). Although, not part of this
seminar, I also have some examples of predicting polymer properties (e.g.
miscibilities, thermal degradation) with MOPAC. Let me know if I can help
in any way.

David Gallagher
Fujitsu <[email-masked]>