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Normal-Modes-Based Prediction of Protein Conformational Changes Guided by Distance Constraints
- Article from:
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Biophysical Journal
- Article date:
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May 1, 2005
- Author:
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Copyright informationCopyright Biophysical Society May 2005. Provided by ProQuest LLC. (Hide copyright information)
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ABSTRACT
Based on the elastic network model, we develop a novel method that predicts the conformational change of a protein complex given its initial-state crystal structure together with a small set of pairwise distance constraints for the end state. The predicted conformational change, which is a linear combination of multiple low-frequency normal modes that are solved from the elastic network model, is computed as a response displacement induced by a perturbation to the system Hamiltonian that incorporates the given distance constraints. For a list of test cases, we find that the computed response displacement overlaps significantly with the measured conformational changes, when only a ...