Integrated Computational Tools for Drug Design
The thematic goal of our software design is the
integration of computational and interactive graphics-based tools
into a well-documented, user friendly system
for use by scientists.
The cornerstone for this design is
Chimera,
a new extensible interactive molecular
graphics application developed at the UCSF
Resource for Biocomputing, Visualization,
and Informatics.
Other components include:
AMBER
for molecular mechanics calculations and
DOCK
for structure-based ligand searching.