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Detection of long-range concerted motions in protein by a distance covariance.

ABSTRACT: We asses the ability of a distance correlation coefficient (DiCC), calculated from distance covariance, for detecting long-range concerted motion in proteins. We establish a set of criteria for ideal correlation coefficient values based on the coefficient of determination in multi-dimension, R(2). We compare in detail DiCC and conventional coefficients against these criteria. We demonstrate that in contrast to conventional correlation coefficients, which capture long-distance correlation adequately only with certain restrictions in multi-dimension, DiCC reflects appropriate correlation in both one- and multi-dimension. Finally we demonstrate the usefulness of DiCC for assessing long-distance correlated fluctuation in protein dynamics.

SUBMITTER: Roy A

PROVIDER: S-EPMC3630994 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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Detection of long-range concerted motions in protein by a distance covariance.

Roy Amitava A Post Carol Beth CB

Journal of chemical theory and computation 20120901 9

We asses the ability of a distance correlation coefficient (DiCC), calculated from distance covariance, for detecting long-range concerted motion in proteins. We establish a set of criteria for ideal correlation coefficient values based on the coefficient of determination in multi-dimension, <b>R</b><sup>2</sup>. We compare in detail DiCC and conventional coefficients against these criteria. We demonstrate that in contrast to conventional correlation coefficients, which capture long-distance cor ...[more]

PMID: 23610564

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