From chemistry-request@ccl.net Thu May  9 06:24:35 1991
Date: Tue, 7 May 91 21:31 EST
From: SPELLMDC%ESVAX%dupont.com@RELAY.CS.NET
Subject: Postdoctoral Fellowship Position
To: chemistry%ccl.net@RELAY.CS.NET
Status: R



                        Postdoctoral Fellowship
		   Molecular Modeling Applied to Drug Discovery

A two-year position in The Du Pont Merck Pharmaceutical Company Postdoctoral
Fewlloship Program is currently available in the molecular modeling group at
DuPont Merck Pharmaceuticals.  This position is part of a large team of
structural biologists, biochemists, molecular biologists, and synthetic
chemists aimed at drug discovery through rational drug design methods.  

Projects will be directed toward general solutions of specific chemical and
biochemical problems encountered in the discovery process in our five
thereapeutic areas.

We use current molecular modeling and computer graphics techniques to construct
and analyze models of synthetic targets.  This includes small molecule
modeling, protein modeling, and DNA modeling.  Current modeling projects
include ab initio, semi-empirical, molecular mechanical (Minimization and
Dynamics), distance geometry, 3D-QSAR, and 3D-database modeling approaches. 
For examples of the types of approaches taken, please see: W. C. Ripka and J.
M. Blaney, Topics in Stereochemistry, 20, 1-85.  Our collaborations with
synthetic chemistry, NMR spectroscopy, X-ray crystallography, and other
disciplines is excellent.  An interdisciplinary approach will be expected. We
use both commercial and in-house packages and develop new methodologies when
needed. 

Candidates should have good experience with Fortran and/or C programming. 
Experience with modeling packages such as Polygen's Quanta/Charm and Tripos's
Sybyl/CoMFA is a must.

The modeling group's graphics and computing hardware includes an IBM
RS-6000/540, a Silicon Graphics 4D-340/GTXB, an SGI 4D-70/GT, an E&S PS390,
access to the DuPont Vaxcluster and the DuPont Cray Y-MP.

Interested individuals should send a CV, and three reference letters to:

	Dr. David Spellmeyer
	The Du Pont Merck Pharmaceutical Company
	Experimental Station
	P.O. Box 80353
	Wilmington, DE 19880-0353

E-mail address: spellmdc%esvax@dupont.com

From jkl@ccl.net Thu May  9 10:17:55 1991
To: chemistry@ccl.net
Subject: Comp.Chem.List-New help file
Date: Thu, 09 May 91 10:20:24 EDT
From: jkl@ccl.net
Status: R

The help file for Computational Chemistry List has been updated.
This file describes rules for the list, ways of accessing
archives, etc. To get a copy of this file, please send a one line
message:
  send help from chemistry
to: OSCPOST@ccl.net or OSCPOST@OHSTPY.bitnet
PLEASE BE CAREFUL not to send these messages to the list itself.
You can also obtain this file by using ftp, if you have it.
     ftp www.ccl.net     (or ftp 128.146.36.48)
     login: anonymous
     password: your_e-mail_address (please !)
     ftp> cd pub/chemistry
     ftp> get help
     ftp> quit

Tell your friend (or enemy) about the Comp.Chem.List

Jan Labanowski
Ohio Supercomputer Center
jkl@ccl.net, JKL@OHSTPY.BITNET