Subject: ANNOUNCEMENT: Molecular Modeling Workshop

From: [email-masked] (Bob Gotwals)
Date: Mon, 7 Nov 1994 09:12:38 +0500

Introduction to Molecular Modeling and Drug Design

                       January 24-26,1995

                North Carolina Supercomputing Center

               Research Triangle Park, North Carolina

The North Carolina Supercomputing Center (NCSC) is pleased to offer
"Introduction to Molecular Modeling and Drug Design." World-renowned
experts from pharmaceutical companies and academia will lecture on
the state-of-the-art techniques in molecular modeling and drug design
such as molecular dynamics, ligand based drug design, receptor based drug
design, protein structure prediction, molecular databases, application
of quantum mechanical methods to molecular modeling, and information
retrieval from World Wide Web using Mosaic. In the hands-on sessions,
workshop participants will learn how to apply the techniques using
the state-of-the-art modeling programs from three leading software
companies (Biosym Technologies, Inc., Molecular Simulations Inc. and
Tripos Associates, Inc.). After completion of the workshop, participants
will be able to enhance their research and shorten their drug design cycle
considerably by applying the techniques learned in the workshop.

Attendance will be limited to fifteen to allow adequate training to
all attendees. For more information please contact Dr. Hong Ma via e-mail
to [email-masked] or by calling 919-248-1176.

Registration fees are $120.00 for North Carolina academic institutions,
$180.00 for out-of-state academic institutions.  Industrial fees are
$750.00.

Agenda

January 24, 1995                - Tuesday
-----------------
 8:30 -  8:45 AM   Remarks and Course Overview
 8:45 - 10:00 AM   Molecular Modeling in Drug Design
10:00 - 10:15 AM   Break
10:15 - 12:00 AM   Lab I: Graphic Interface
12:00 -  1:00 PM   Lunch
 1:00 -  2:30 PM   Ligand Based Drug Design
 2:30 -  5:00 PM   Lab II: Pharmacophore Model Generation
 5:00 -  7:00 PM   Dinner
 7:00 -  8:00 PM   Molecular Databases
 8:00 - 10:00 PM   Lab III: Molecular Database

January 25, 1995                - Wednesday
-----------------
 8:30 - 10:00 AM   Molecular Mechanics and Dynamics
10:00 - 10:15 AM   Break
10:15 - 12:00 AM   Lab IV: Minimization and Dynamics
12:00 -  1:00 PM   Lunch
 1:00 -  2:00 PM   Ab Initio and Semi-empirical Methods
 2:00 -  2:05 PM   Break
 2:05 -  3:05 PM   Density Functional Method
 3:05 -  5:00 PM   Lab V: Application of Quantum Mechanics Methods
 5:00 -  7:00 PM   Dinner
 7:00 - 10:00 PM   Optional Lab Time

January 26, 1995                - Thursday
-----------------
 8:30 - 10:00 AM   Protein Structure Prediction
10:00 - 12:00 AM   Lab VI: Protein Structure Prediction
12:00 -  1:00 PM   Lunch
 1:00 -  2:00 PM   Receptor Based Drug Design
 2:00 -  4:00 PM   Lab VII: Receptor Based Drug Design
 4:00 -  5:15 PM   Drug Design -- A Practical Example

LECTURERS:

Mike Agostino      Glaxo Inc. (RTP, NC)
Webb Andrews       Burroughs Wellcome (RTP, NC)
Frank Brown        Glaxo Inc. (RTP, NC)
Lee Bartolotti     North Carolina Supercomputing Center (RTP, NC)
Alexander Tropsha  School of Pharmacy, University of North Carolina (Chapel
Hill, NC)
Mike Mitchell      Becton Dickinson Research Center (RTP, NC)
Mark Murcko        Vertex (Cambridge, MA)
Lee Pedersen       Department of Chemistry, University of North Carolina
(Chapel Hill, NC)

INSTRUCTORS:

Lee Bartolotti     North Carolina Supercomputing Center (RTP, NC)
Hong Ma            North Carolina Supercomputing Center (RTP, NC)
Scott Kahn         Biosym Technologies, Inc.
K. Raghavan        Molecular Simulations Inc.
Chris Van Dyke     Tripos Associates, Inc.