Subject: Molecular modeling just got better with MacroModel 8.0

From: Schrodinger Announce Account <[email-masked]>
Date: Tue, 18 Jun 2002 15:17:39 -0700 (PDT)

Schrodinger is pleased to announce the release of MacroModel 8.0, the latest 
version of our popular molecular-modeling software.  MacroModel has a large 
selection of force fields, as well as advanced methods for conformational 
analysis, molecular dynamics, and free energy calculations, making it the 
gold standard for general-purpose molecular mechanics studies of organic 
and bioorganic molecules in gas phase or solution.  Powerful new utilities 
extend MacroModel for exploration of proteins and protein-ligand complexes.

New features in MacroModel 8.0 include:
* a unique algorithm which performs conformational searches on protein-sized 
  structures; applications include generation of alternate protein structures 
  for docking studies and study of a protein's response to new ligands,
* bond-dipole cutoffs for significantly more accurate electrostatic 
  potential energy,
* eMBrAcE, an easy to use tool for multiple minimization of docked ligands,
* an advanced symmetry recognition algorithm, which quickly compares and 
  eliminates duplicate structures in conformational analysis,
* protein loop structure generation, which performs conformational searches 
  on a series of residues in a protein; alternate residue sequences can 
  also be specified.

MacroModel 8.0 ships with Maestro 5.0, the latest version of our graphical 
user interface.  Highlights of Maestro 5.0 include:
* scientific visualization of van der Waals and other molecular surfaces,
* mapping of hydrophilic and hydrophobic regions in protein active sites, 
* interactive property plots (scatter or frequency), where one can select 
  molecules for further analysis by selecting points in the graph.

For more information about obtaining MacroModel 8.0, please contact your 
client representative or visit http://www.schrodinger.com.