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Validation protocols and data management for computer simulation of macromolecules
Reference
BIF05340
Principal Investigator / Supervisor
Professor Julia Goodfellow
Co-Investigators /
Co-Supervisors
Dr Roger Johnson
Institution
Birkbeck College
Department
Biological Sciences
Funding type
Research
Value (£)
144,174
Status
Completed
Type
Research Grant
Start date
01/11/1995
End date
01/11/1998
Duration
36 months
Abstract
Computer simulations are routinely used to study conformation and dynamics of macromolecules. We propose to develop a series of analyses to provide a validation protocol allowing comparisons between simulated and experimental data and between different simulations. We also propose to develop quantitative methods for handling the very large amount of data which is generated during simulations focusing on the number and frequency of snapshots for analysis and the accumulation of the results from the validation protocol into a database about which queries can be made. Our protocols will lead to a general method for assessing the reliability of molecular systems.
Summary
unavailable
Committee
Not funded via Committee
Research Topics
X – not assigned to a current Research Topic
Research Priority
X – Research Priority information not available
Research Initiative
Bioinformatics (BIF) [1995-1997]
Funding Scheme
X – not Funded via a specific Funding Scheme
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