CCL:METHODS OF MOLECULAR MECHANICS WORKSHOP

Michael Tor Klawansky mk34+ at andrew.cmu.edu
Wed Jun 7 20:07:31 EST 1995


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NOTE:When replying please reply to ropelews at slave.psc.edu
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"METHODS OF MOLECULAR MECHANICS AND DYNAMICS OF BIOPOLYMERS" WORKSHOP
                    Pittsburgh Supercomputing Center           
                           August 16-19, 1995


The Pittsburgh Supercomputing Center (PSC) is hosting a workshop 
on "Methods of Molecular Mechanics and Dynamics of Biopolymers," 
August 16-19, 1995.  
The workshop will familiarize biomedical researchers with 
computational methods and provide practice
in applying supercomputing resources to problems of concern in molecular 
mechanics.  Practical experience on our supercomputers will be gained in  
the application to: 
(1) the theory and practice of molecular mechanics and dynamics;  
(2) the development and refinement of molecular mechanics force fields; 
(3) the problem of conformation mapping and analysis of polypeptide 
structures, including the refinement of structure from measured NMR data; 
and 
(4) computation of interaction energies and free energies for protein-drug
interactions and conformational thermodynamics.  

Workshop leaders are
Dr. Charles L. Brooks III, The Scripps Research Institute 
and 
Dr. Alexander D. MacKerell Jr., University of Maryland at Baltimore.

The worskhop will consist of lectures and extensive hands-on sessions.
General aspects of molecular mechanics software will be discussed and
a number of packages are available for use at the PSC.  However, 
the programs CHARMM and QUANTA will be utilized most extensively in 
demonstrations.  Hands-on sessions will be emphasized. 
Participants will be able to work on the examples provided or 
on their own experimental data. 
No prior supercomputing experience is necessary.  

This workshop is funded by a grant from the Biomedical Research Technology
Program, National Center for Research Resources, National Institutes of 
Health.  TRAVEL, MEALS AND HOTEL ACCOMMODATIONS FOR RESEARCHERS AFFILIATED
WITH U.S. ACADEMIC INSTITUTIONS ARE SUPPORTED BY THIS GRANT.
Enrollment is limited to 20.  An application form is included.  
Deadline for applications is: June 22, 1995.
Please direct inquires or send the following application form to 
blankens at psc.edu.


Additional information about this workshop can be found in 
http://pscinfo.psc.edu/biomed/workshops95.html



                         PITTSBURGH SUPERCOMPUTING CENTER
                         BIOMEDICAL  INITIATIVE
                         **************************************
                         August 16-19, 1995

                         APPLICATION  


Name:________________________________________________________________________ 
 
Affiliation:_________________________________________________________________

Address:_____________________________________________________________________
                                  (Business) 
_____________________________________________________________________________
                  
____________________________________________________________________________
                                    (Home)                  
____________________________________________________________________________ 
 
Telephone:  ____________________              ______________________ 
                (Business)                            (Home) 
 
*Social Security Number:  _______-_____-_______    Citizenship: ____________

Electronic Mail Address:____________________________________________________ 

Status: ___Graduate  ___Post-doctoral Fellow  ___Faculty  ___Other (specify) 
 
Please indicate specifically any special housing, transportation or dietary 
arrangements you will need:  _______________________________________________
 
How did you learn about this workshop? _____________________________________

    
REQUIREMENTS: 

Applicants must submit a completed application form and a cover letter. The 
letter should describe, in one or two paragraphs, your current research and  
how participating in the workshop will enhance this research.  Please 
include a brief statement describing your level of experience with computers. 
Faculty members, staff and post-docs should provide a curriculum vita. 
Graduate students must have a letter of recommendation from a faculty member.  
 
Please return all application materials by June 22, 1995 to:

          Biomedical Workshop Applications Committee 
          Pittsburgh Supercomputing Center 
          4400 Fifth Avenue, Suite 230C 
          Pittsburgh, PA 15213 
 
Direct inquiries to: Nancy Blankenstein, blankens at psc.edu or 412/268-4960.

*Disclosure of Social Security Number is voluntary.

PSC does not discriminate on the basis of race, color, religion, sex, age, 
creed, national or ethnic origin, or handicap. 



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