BBSRC Portfolio Analyser
Award details
3D quantitative structure activity relationships of protein-ligand interactions using probablistic and logic reasoning
Reference
B19118
Principal Investigator / Supervisor
Professor Michael Sternberg
Co-Investigators /
Co-Supervisors
Professor Stephen Muggleton
Institution
Imperial College London
Department
Biological Sciences
Funding type
Research
Value (£)
187,944
Status
Completed
Type
Research Grant
Start date
01/07/2003
End date
30/06/2006
Duration
36 months
Abstract
The aim is to develop a novel method for modelling 3D quantitative structure activity relationships (QSARs) using stochastic logic programs (SLPs), a new type of machine learning that combines numerical reasoning with logic. Logic-based (ILP) QSAR approaches are powerful but have limitations in handling the numerical values of the activity and alternate molecular conformers. SLPs can rectify these problems. We will develop an SLP approach to model QSARs for 4 ligand systems for which there is structural information on the protein receptor. The SLP approach will be compared to ILP, CoMFA and CoMSIA. The methodology will be applied to an on-going experimental protein/ligand binding study based on protein arrays.
Summary
unavailable
Committee
Closed Committee - Biomolecular Sciences (BMS)
Research Topics
X – not assigned to a current Research Topic
Research Priority
X – Research Priority information not available
Research Initiative
X - not in an Initiative
Funding Scheme
X – not Funded via a specific Funding Scheme
I accept the
terms and conditions of use
(opens in new window)
export PDF file
back to list
new search