Subject: Meeting reminder: Molecular Graphics Society

From: tj ODonnell <[email-masked]>
Date: Sat, 21 May 1994 14:47:50 -0500 (CDT)

May 21, 1994

For those interested in molecular graphics, molecular modeling,
computer graphics and/or computer art, the following conference
should be of great interest.

The conference organizers suggest registration as early as possible,
although registration at the door will be allowed.

For more info, contact [email-masked] or
MGS'94 Conference
PO Box 267929
Chicago, IL 60626
312 743 7246 (FAX)

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    13TH ANNUAL CONFERENCE OF THE MOLECULAR GRAPHICS SOCIETY
	
	    "MOLECULAR GRAPHICS AT THE FRONTIER"		

		     JULY 9-13, 1994
			   
	          NORTHWESTERN UNIVERSITY
                     EVANSTON, ILLINOIS

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			SATURDAY, JULY 9TH

3:00-5:00	 Registration and Check-In

5:00-7:00        Art Show Opening and Reception

7:00-8:00	          KEYNOTE ADDRESS:

	"What Would Help You? New Technical Possibilities 
		for Molecular Graphics"
			    
		 Prof. Frederick P. Brooks
	   University of North Carolina, Chapel Hill
		
	            OPENING RECEPTION

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				SUNDAY, JULY 10th

10:00			Brunch

11:00-1:00	Session 1: PRESIDENT'S FORUM: NEW DIRECTIONS
			   IN THE MOLECULAR MODELING INDUSTRY
			  
	A panel composed of:

	Keith Davies, Chemical Design, Ltd.
	George Purvis, CAChe Group
	Mick Savage, Molecular Simulations Inc.
	David Klipstein, BIOSYM Technologies
	Mark Schwartz, Tripos Associates
		
1:00-2:00		BREAK

Session 2: 	NEW SOFTWARE SYSTEMS AND PROGRAMMING PARADIGMS 
		FOR MOLECULAR GRAPHICS
		Session Sponsor: Chemical Design, Ltd.

2:00-2:10	Chairman's introduction

2:10-3:00	"AVS as a tool for Visual Computing in Chemistry"
 		Douglas Smith, DAS Group

3:00-3:30	"A Visual Data-Flow Environment for
		Macromolecular Crystallographic Computing"
		David L. Wild, EMBL

3:30-4:00	"Genetic Algorithm Refinement of Structures Generated
		by a De Novo Design Program"
		David E. Clark, Proteus Molecular Design, Ltd.

3:30-4:00		BREAK

4:00-4:30	"Experiences Developing a Portable User Interface"
		Keith Davies, Chemical Design, Ltd.

4:30-5:00	"Using a Dataflow Toolkit for Molecular Graphics"
		Jeremey Walton, Numerical Algorithms Group

5:00-5:30 	"Interactive Molecular Docking Using Real-Time 
		Molecular Dynamics in a Virtual Reality Environment"
		Paul A. Bash, Argonne National Laboratory

5:30-6:00	MGSOA BUSINESS MEETING

7:30		FILM AND VIDEO SHOW

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			MONDAY, JULY 11TH

	SESSION 3:	GRAPHICAL REPRESENTATION IN QUANTUM CHEMISTRY

9:00-9:10	Chairman's introduction

9:10-10:00	"Using Visualization to Interpret the 
		 Relationship Between Properties and Structures"
		 Dr. George Purvis, CAChe Group

10:00-10:30	"Simulation Analysis of the Enzyme Reaction 
		Mechanism of Malate Dehydrogenase Using a Combined 
		Quantum/Molecular Mechanics Method Implemented on a 
		Massively Parallel Computer"
		Paul A. Bash, Argonne National Laboratory

10:30-11:00	"A Novel Fast Algorithm for Visualising the Results
		of Quantum Chemistry Calculations"
		Keith Davies, Chemical Design, Ltd.

11:00-11:15	BREAK

11:15-11:45	"Molecular Dynamics Toolchest - Software for Analysing
		Biomolecular Structure and Dynamics"
		Ganesan Ravishanker, Wesleyan University	

11:45-12:15	"Molecular Population Fogs"
		Ryan Koehler, University of California, Santa Cruz

12:15-12:45	"An Efficient Algorithm to Compute Molecular Surfaces"
		Michel F. Sanner, The Scripps Research Institute

12:45-2:00	BREAK

	SESSION 4:	VISUALIZING THE GEOMETRY AND TOPOLOGY OF MOLECULAR
			STRUCTURE, PROPERTIES AND INTERACTIONS
			Session Sponsor: Silicon Graphics, Inc.
		
2:00-2:10	Chairman's introduction

2:10-3:00	"A New Look at Molecular Surfaces and Volumes"
		Arthur J. Olson, The Scripps Research Institute

3:00-3:30	"SIMILIS: A Program for the Computation of the Local
		Similarity of Molecular Surfaces"
		Denis M. Bayada, University of Leeds

3:30-3:45	BREAK

3:45-4:15	"Beyond Atoms: Interactive Visualization of
		Molecular Properties"
		Christian Henn, M.E. Muller Institute for Microscopy

4:15-4:45	"Hydrophobic Properties in Molecular Surface Recognition"
		Ilya A. Vakser, Washington University

4:45-5:15	"Localisation of Complementary Zones on Molecular
		Surfaces for Docking Proteins"
		A. Badel-Chagnon, University of Paris

5:15-5:45	"Predicting Protein-Protein Interaction Using
		Parametric Surfaces"
		Bruce S. Duncan, The Scripps Research Institute

Evening: 		CONFERENCE BANQUET

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				TUESDAY, JULY 12TH

	SESSION 5:	COMMUNICATING, COLLABORATING AND EDUCATING 
			VIA MOLECULAR GRAPHICS

9:00-9:10	Chairman's introduction

9:10-10:00	"The Kinemage is Mightier than the Stereo Image"
		 David Richardson, Duke University	

10:00-10:30	"Illustration of Macromolecular Size and Shape"
		David S. Goodsell, University of California, Los Angeles

10:30-11:00	"Molecular Tool Kit (MTK): A Graphical Tool Kit for
		Molecular Modeling"
		Raul Cachau, NCI Frederick

11:00-11:15	Coffee Break

11:15-11:45	"Visualizing Molecular Electrostatic Potentials,
		Electronic Densities and Related Gradients"
		Thomas Jackman, IBM

11:45-12:15	"MoVideo: Building Molecular Videos on PC's and Mac's"
		Francis T. Marchese, Pace University	
			
			FREE AFTERNOON - NO SESSIONS SCHEDULED

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				WEDNESDAY, JULY 13TH
	
SESSION 6: 	TOWARD THE DESIGN OF NEW MATERIALS
		Session Sponsor: Tripos Associates
		
9:00-9:10	Chairman's introduction

9:10-10:00	"Building New Materials Atom by Atom"
        	 Dr. Francois Grey, Aono Atomcraft Project, Japan	

10:00-10:30	"Pseudoreceptor Modeling - A Molecular 
		Recognition Concept for the Construction of 
		Three-Dimensional Binding Sites"
		Angelo Vedani, SIAT Biographics Laboratory
			
10:30-11:00	"Predicting the Properties of Polymers: 
		Correlation Between Simulation and Experiment"
		Brendan J. Howlin, University of Surrey

11:00-11:15	Coffee Break

11:15-11:45	"Designing Inhibitors of Thermolysin:
		A DISCO Validation Study"
		Scott DePriest, Tripos Associates

11:45-12:15	"New Developments in the SPROUT Program for
		De Novo Design and the CAESA System for 
		Estimation of Synthetic Accessibility"
		A. Peter Johnson, University of Leeds

12:15-12:30	Announcements, Awards and Poster Highlights

		Meeting Close	
	
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	COMMERCIAL EXHIBITS, POSTER DISPLAY AND ART EXHIBIT OPEN 

                          SUNDAY - TUESDAY

			10:00 A.M. - 9:00 P.M.

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