Normal-modes-based prediction of protein conformational changes guided by distance constraints.
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ABSTRACT:
SUBMITTER: Zheng W
PROVIDER: S-EPMC1305462 | biostudies-literature | 2005 May
REPOSITORIES: biostudies-literature
Publications
Normal-modes-based prediction of protein conformational changes guided by distance constraints.
Zheng Wenjun W Brooks Bernard R BR
Biophysical journal 20050218 5
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 incorpo ...[more]
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