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Article

Coarse-grained simulations of transitions in the E2-to-E1 conformations for Ca ATPase (SERCA) show entropy-enthalpy compensation.

Journal of molecular biology - 28 Sept 2012

Nagarajan Anu, Andersen Jens Peter, Woolf Thomas B

Abstract excerpt

SERCA is a membrane transport protein that has been extensively studied. There are a large number of highly resolved X-ray structures and several hundred mutations that have been characterized functionally. Despite this, the molecular details of the catalytic cycle, a cycle that includes large conformational changes, is not fully understood. In this computational study, we provide molecular dynamics descriptions...

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PMID: 22684148
DOI: 10.1016/j.jmb.2012.06.001

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