PowerFit, An Powerful Program for Molecular Fitting
- From: Willie Cui <microsim(-(at)-)nis.net>
- Organization: MicroSimulations
- Subject: PowerFit, An Powerful Program for Molecular Fitting
- Date: Tue, 17 Sep 1996 00:33:08 -0700
MICROSIMULATIONS ANNOUNCES RELEASE OF POWERFIT,
AN POWERFUL PROGRAM FOR MOLECULAR FITTING.
MAHWAH, New Jersey-August 28, 1996-MicroSimulations Corp., an exciting
new innovator of molecular design, visualization, and analysis software,
today announced the release of PowerFit, the second product from it's
ChemInfo 3D family of applications.
The first product from this series, AccuModel, is designed for the construction
of accurate 3D molecular models using the MM3 Force Field and is introduced
in a seperate posting.
Complementary to AccuModel, PowerFit enables the chemists to "fit", or
compare,
one structure to another. Manual or automated, rigid-body or conformational
flexible fitting. The fitting potential is based on the work of Kearsley and
Smith and
known as "Steric and Electrostatic ALignment (SEAL).
The global search of the best fit is enabled using Monte Carlo simulated
annealing
The user interface is very visual and intuitive. Molecules can be controlled
manually for detailed visual comparison. User can actually observe the dynamic
"fitting"
process.
Designed for pharmaceutical and biotechnology companies, ChemInfo 3D desktop
system enables medicinal chemists to visualize, analyze and evaluate chemical
structures and is essential to efficient, productive molecular research.
PowerFit is for use on Windows 95, Windows NT, and
PowerPC and is available for immediate delivery.
For more information, please visit MicroSimulations' Web site,
http://www.microsimulations.com
About MicroSimulations
Established in 1993, MicroSimulations Corp. offers an exciting suite of
integrated
molecular design, visualization, and analysis software used in pharmaceutical,
chemical, agrochemical, and biotechnology research and development.
MicroSimulations' innovative products enable individuals, research teams, and
organizations to leverage intellectual assets by allowing scientist to enhance
their
intuition through the use of powerful yet highly cost-effective applications
designed to
speed new product discovery.
--
Willie Cui, Ph.D.
Director of Product Development
MicroSimulations
478 Green Mountain Road
Mahwah, NJ 07430
voice: (201)512-0486
fax: (201)512-0489
http://www.microsimulations.com