Subject: In silico solutions for drug discovery

From: Schrodinger Announce Account <[email-masked]>
Date: Tue, 9 Jul 2002 11:26:50 -0700 (PDT)

Schrodinger is pleased to announce the release of FirstDiscovery 2.0, which 
contains breakthrough technology designed to accelerate the drug-discovery 
process and reduce development costs.  Leading pharmaceutical and 
biopharmaceutical companies, including Aventis, Bristol-Myers Squibb, 
Boehringer-Ingelheim, GlaxoSmithKline and Albany Molecular, have integrated 
this software into their discovery processes in order to gain a distinct 
competitive advantage.

Schrodinger's solution offers exceptional accuracy, by leveraging unique 
expertise in force-field development, solvation modeling, and sampling 
techniques.  Addressing some of the specific problems in traditional drug 
design, Schrodinger's FirstDiscovery suite: 
* reliably identifies lead compounds that meet stringent criteria, early in 
the drug discovery process, 
* complements high-throughput screening (HTS) by reducing the associated 
problems of false positives and false negatives,
* improves the quality of candidates that proceed into lead optimization and 
development.

Schrodinger's drug-discovery technology includes: 
* Glide, for high throughput virtual library screening based on binding 
affinity.  The latest version of Glide yields much higher enrichment factors 
than previous releases, particularly for difficult classes of compounds, such 
as kinases.
* QikProp, for high throughput virtual library screening based on 
pharmacokinetic properties.  The latest version of QikProp is capable of 
screening 150,000 compounds per hour per processor.
* Liaison, for lead optimization.  Liaison evaluates binding affinity of drug 
candidates much more accurately than scoring functions.
* QSite, for in-depth analysis of active-site chemistry.  QSite expands the 
unique strengths of the Jaguar quantum chemistry package to protein chemistry.
* MacroModel, for general-purpose studies of organic molecules.  The latest 
version of MacroModel has powerful new features for exploration of proteins 
and protein-ligand complexes, including an easy to use feature for multiple 
minimization of docked ligands.

Schrodinger provides world-class software and services designed to improve 
return on investment for drug discovery research.  To find out more about 
Schrodinger's leading-edge scientific solutions, please contact 
[email-masked] or visit http://www.schrodinger.com.