New ChemProtein with Homology Building

The new ChemProtein module of Chem-X features powerful homology building of
3D protein models. This exciting development enables models of partially
known proteins to be built using other proteins as templates. Now
available for all Chem-X supported platforms, including MS-Windows and
Power Macintosh, ChemProtein provides the only homology building software
on the desktop. 

With ChemProtein the conversion of a template protein, with known 3D
structure, to a proposed 3D structure for the target is automated. First,
the template and target proteins are aligned using their primary
sequences. Then the residue insertions, deletions, substitutions required
to covert the template into the target are identified and automatically
applied, with chain repair when required. 

Many alignments between template and target are considered and scored
according to goodness of fit. Choosing different alignments for mutations
allows several 3D models of the target to be quickly built for dynamics
and molecular mechanics studies, or for examining docking into receptor
sites. 

Chem-X fitting enables a newly built 3D protein structure and its
homologous template to be compared visually. Options are provided for
fitting by secondary structure, alpha carbons, or conserved residues (for
example in the active site). 

Chem-Xs fully integrated modular architecture means ChemProtein can be used
with an impressive array of modeling and database tools, including energy
minimizations, dynamics, conformational analysis, docking and surface
analyses. Chem-X is widely used for new product research and is currently
installed at over 700 research sites world-wide, including divisions of
most major multi-national pharmaceutical organizations. The software is
best known for its 3D database searching capabilities where Chemical
Design has demonstrated technology two years ahead of the competition.
Chem-Xs advanced capabilities are proven for success, yielding new
patentable drugs now in development. 

Chemical Design Inc
200 Route 17 South, Suite 120
Mahwah, NJ 07430
201-529-3323,  fax 201-529-2443
 
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