Subject: TINKER Protein Force Field Development

From: [email-masked]
Date: Mon, 15 Feb 99 12:38:42 -0600

A postdoctoral position is available in Jay Ponder's lab at the Washington
 University School of Medicine in St. Louis to work on the development and
 validation of a "next generation" force field for proteins. The work will
 use a polarizable multipole-based description of electrostatics and other
 new functional forms in order to increase the accuracy of the underlying
 parameterization. Validation and testing will done via MD simulation of
 peptide crystals, comparison with ab initio and DFT calculations, and
 application to a variety of biological systems of current interest. Our
 group also develops and maintains the TINKER molecular mechanics/dynamics
 package (see http://dasher.wustl.edu/tinker/) and it is anticipated that
 parameters will be made available through this package as well as standard
 publications. The position requires some prior experience with force field
 parameterization and basic background in biomolecular modeling. Familiarity
 with programming of simulation computer codes (Fortran) and statistical
 mechanics will be helpful.

 The project has current NSF funding (Award #9808317). An initial appointment
 for one year will be renewable for additional years. Anyone interested in
 being considered for this position should send a resume and the names of
 three references to:

                       Dr. Jay W. Ponder
                       Washington University School of Medicine
                       Biochemistry & Molecular Biophysics, Box 8231
                       660 South Euclid Avenue
                       St. Louis, MO 63110

                       phone:  (314) 362-4195
                       fax:    (314) 362-7183

 Applications or questions can also be directed to me via email addressed
 to [email-masked]