Molecular dynamics studies of the structure of collagen peptides yields a large volume of data that need to be examined for specific properties such as helical parameters, average dihedral angles, hydrogen bonding patterns. A number of tools have been developed to filter the data to present specific properties in a semi-automated fashion. Output of tools include averages and standard deviations of angles, radial and Cartesian time plots of dihedral angles and linear time plots of hydrogen bond geometries. In preparation for publication, a number of new tools were developed to generate plots. Two MidasPlus delegates were written to facilitate the analysis of solvent distribution about collagen during molecular dynamics simulation.

Agency
National Institute of Health (NIH)
Institute
National Center for Research Resources (NCRR)
Type
Biotechnology Resource Grants (P41)
Project #
5P41RR001081-22
Application #
6119134
Study Section
Project Start
1999-07-01
Project End
2000-06-30
Budget Start
1998-10-01
Budget End
1999-09-30
Support Year
22
Fiscal Year
1999
Total Cost
Indirect Cost
Name
University of California San Francisco
Department
Type
DUNS #
073133571
City
San Francisco
State
CA
Country
United States
Zip Code
94143
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