Public Health Relevance

The task of designing new pharmaceuticals can be aided by a computer-assisted model of enzyme mechanism that would be easy to use. A program to do this, MOPAC2012, already exists, but currently it is only being used by expert computational chemists. The objective is to modify the MOPAC2012 program and its documentation to make it suitable for use by experimentalists.

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Small Business Innovation Research Grants (SBIR) - Phase II (R44)
Project #
1R44GM108085-01A1
Application #
8708461
Study Section
Special Emphasis Panel (ZRG1-IMST-G (10))
Program Officer
Barski, Oleg
Project Start
2014-06-01
Project End
2014-11-30
Budget Start
2014-06-01
Budget End
2014-11-30
Support Year
1
Fiscal Year
2014
Total Cost
$113,567
Indirect Cost
Name
Stewart Computational Chemistry
Department
Type
DUNS #
807442991
City
Colorado Springs
State
CO
Country
United States
Zip Code
80921