Abstract
We have submitted models for all 9 targets in Rounds 3-5 of CAPRI and have predicted at least 30% of the correct contacts for 4 of the targets and at least 10% of the correct contacts for another 4 targets. We have employed a variety of techniques but have had the greatest success by combining established rigid-body docking with a variety of initial conformations generated by molecular dynamics.
MeSH terms
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Algorithms
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Computational Biology / methods*
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Computer Simulation
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Crystallography, X-Ray
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Databases, Protein
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Dimerization
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Internet
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Macromolecular Substances
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Models, Molecular
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Models, Statistical
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Molecular Conformation
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Mutation
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Protein Conformation
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Protein Folding
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Protein Interaction Mapping / methods*
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Protein Structure, Tertiary
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Proteomics / methods*
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Reproducibility of Results
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Software
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Static Electricity
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Structural Homology, Protein
Substances
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Macromolecular Substances