From hongma@mcnc.org Wed Dec 7 14:18:01 1994 Received: from robin.mcnc.org.mcnc.org for hongma@mcnc.org by www.ccl.net (8.6.9/930601.1506) id NAA25349; Wed, 7 Dec 1994 13:38:26 -0500 Received: by robin.mcnc.org.mcnc.org (8.6.9/MCNC/8-10-92) id NAA06126; Wed, 7 Dec 1994 13:38:18 -0500 for Date: Wed, 7 Dec 1994 13:38:18 -0500 From: Hong Ma Message-Id: <199412071838.NAA06126@robin.mcnc.org.mcnc.org> To: chemistry@ccl.net Subject: Second offering of Molecular Modeling and Drug Design Workshop Due to the overwhelming response to the announcement of our Molecular Modeling and Drug Design workshop on Jan. 24 - 26, we are offering another class on Jan. 31 - Feb. 2. Introduction to Molecular Modeling and Drug Design January 31- February 2, 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 hongma@ncsc.org 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 31, 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 February 1, 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 February 2, 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, Univeristy 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) K. Raghavan Biosym Technologies, Inc. Scott Kahn Molecular Simulations Inc. Chris Van Dyke Tripos Associates, Inc.