Refining Restriction Enzyme Genome Maps
Constraints
Proceedings of the 1st International Conference on Intelligent Systems for Molecular Biology
Applying Constraint Programming to Protein Structure Determination
CP '99 Proceedings of the 5th International Conference on Principles and Practice of Constraint Programming
A framework for constructing complete algorithms based on local search
AI Communications - Constraint Programming for Planning and Scheduling
Constraint Reasoning for Differential Models
Proceedings of the 2005 conference on Constraint Reasoning for Differential Models
Logic Programming Techniques in Protein Structure Determination: Methodologies and Results
LPNMR '09 Proceedings of the 10th International Conference on Logic Programming and Nonmonotonic Reasoning
International Journal of Data Mining and Bioinformatics
Constraint propagation on quadratic constraints
Constraints
A constraint programming approach to bioinformatics structural problems
PADL'07 Proceedings of the 9th international conference on Practical Aspects of Declarative Languages
A constraint solver for flexible protein models
Journal of Artificial Intelligence Research
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In this paper we propose PSICO (Processing Structural Information with Constraint programming and Optimisation) as a constraint-based approach to determining protein structures compatible with distance constraints obtained from Nuclear Magnetic Resonance (NMR) data. We compare the performance of our proposed algorithm with DYANA (“Dynamics algorithm for NMR applications”) an existing commercial application based on simulated annealing. On a test case with experimental data on the dimeric protein Desulforedoxin, the method proposed here supplied similar results in less than 10 minutes compared to approximately 10 hours of computation time for DYANA. Although the quality of results can still be improved, this shows that CP technology can greatly reduce computation time, a major advantage because structural NMR technique generally demands multiple runs of structural computation.