Subject: Computational Drug Design

From: "Glover, Jonathan (ELS)" <[email-masked]>
Date: Mon, 8 May 2000 09:27:24 -0400

Dear CCL'ers:

 <<...>> 

2nd Annual
Computational Drug Design
The Interface of Library Design, Bioinformatics, Structure Based Drug Design
and Virtual Screening
July 19-21, 2000 * Hyatt Regency San Francisco

Key leaders in the biotechnological, pharmaceutical and academic communities
recognize the need to utilize innovative computational approaches to guide
the synthesis of combinatorial libraries, to analyze the growing volume of
screening data, and to focus highthroughput screening resources to minimize
discovery time and cost.  The Institute for International Research proudly
presents the 2nd Annual Computational Drug Design: The Interface of Library
Design, Bioinformatics, Structure Based Drug Design and Virtual Screening.
This program is specifically designed for the biopharmaceutical industry and
includes practical and innovative ways to maximize the value of chemical
lead compounds, develop protocols that integrate bioinformatics and
chemoinformatics, and enhance computational chemistry and computer aided
drug design programs.  At this conference you learn how to:

*	Discover a novel approach to identifying a preferred ligand-binding
motif
*	Examine high throughput virtual screening for lead discovery
*	Implement more cost-effective protocols for large scale virtual
screening
*	Utilize molecular pharmacophores for faster, more efficient
molecular docking
*	Integrate eADMET and chemical synthesis
*	Learn about a more efficient and effective means of visualizing
protein-protein interactions

This program features presentations & case studies from these leading
industry experts:

Juan Alvarez	Paul LaBute	Johann Gasteiger
Genetics Institute	Chemical Computing Group	Computer Chemistry
Center
Andreas Bergner	Jin Li	Brian Goldman
Cambridge Crystallographic Data Center	Protherics	Vertex
Pharmaceuticals
Vijay Bhargava	Eric Martin	Andrew Good
Hoescht Marion Roussel, Inc	Chiron Corp	Bristol Myers-Squibb
Regine Bohacek	Jennifer Miller	Michael Siani
Ariad Pharmaceuticals	DuPont Pharmaceuticals	Kosan Biosciences
Arthur Doweyko	Garrett Morris	Matthew Stahl
Bristol Meyers-Squibb	The Scripps Institute	OpenEye Scientific
Jacque Fetrow	Michael Pique	Michael Vieth
GeenFormatics	The Scripps Institute	Eli Lilly & Co
	Wayne Guida	
	Schrödinger, Inc	

Program Schedule

Wednesday, July 19th, 2000

8:30-12:00	Pre-conference Workshop
	Computer Aided Design of Novel Molecules using the 3-D Structures of
the > > Target Receptor > > 
1:45-2:30	Optimizing Affinity in a Shallow Binding Site: The Design of
Low Nanomolar Inhibitors of the Src SH2 Domain
2:30-3:15	Oriented Substituent Pharmacophore PRopErtY Space
(OSPPREYS): A Substituent-Based Calculation that Describes Combinatorial
Library Products Better than the Corresponding Product-Based Calculation
3:30-4:15	The Discovery Engine (tm) In Action: Demonstration of Rapid
Lead Evolution
4:15-5:00	Focused Virtual Screening for More Efficient Exploration of
Chemical Space
5:00-6:30	Cocktail Reception
Thursday, July 20th, 2000

8:30-9:15	Computer-Aided Design of Novel Polyketides and Polyketide
Synthase Genes
9:15-10:00	Virtual Screening: Bridging the Gap Between Structural
Genomics and Lead Discovery
10:30-11:15	Data Mining for Drug Design
11:15-12:00	Using 3D-QSAR Methodology to Identify Preferred Ligand
Binding Motifs: The Multiple Conformer Protocol
1:00-1:45	Robustness and Resistance: Evolutionary and Coevolutionary
Methods in Docking and Drug Design
1:45-2:30	Developing Methods for Pharmacophore-Based Molecular Docking
2:30-3:15	Relibase+: The Easy Way To Search Protein-Ligand Complexes
3:30-4:15	Which Sequence Should I Target?  Use of Structure to Find
the Important Needle in the Haystack of Protein Sequences
4:15-5:00	Q&A Panel Discussion
Friday, July 21st, 2000

8:30-9:15	Visualizing Protein-Protein Interactions
9:15-10:00	Docking-Based QSAR: A Novel Approach to Directing Lead
Optimization
10:30-11:15	A Widely Applicable Set of 2½ D Descriptors
11:15-12:00	Integration of eADMET and Chemistry
1:00-1:45	Rapid 3D Database Searching 
1:45-2:30	Validation and Optimization of Structure-Based Virtual
Screening: Putting the Horse before the Cart
2:30-3:15	Next Generation Flexible Docking: Low-Mode Conformational
Search
For further information, please call (888) 670-8200 US; (941) 951-7885
Int'l.  Visit our website at
http://www.IIR-ny.com/conference.cfm?EventID=P0568&CFID=71675&CFTOKEN=11563

We look forward to greeting you in San Francisco on July 19th!