Microsecond Molecular Dynamics Simulations of Mg2+- and K+- Bound E1 Intermediate States of the Calcium Pump

Open Access

Peer-reviewed

Research Article

Microsecond Molecular Dynamics Simulations of Mg²⁺- and K⁺- Bound E1 Intermediate States of the Calcium Pump

L. Michel Espinoza-Fonseca ,

* E-mail: espin049@umn.edu

Affiliation Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota, Minneapolis, Minnesota, United States of America
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Joseph M. Autry,

Affiliation Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota, Minneapolis, Minnesota, United States of America
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David D. Thomas

Affiliation Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota, Minneapolis, Minnesota, United States of America
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Crystal structure
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Cytosol
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Nucleotides
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Ions
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Oxygen
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Biochemical simulations
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Molecular dynamics
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ATP hydrolysis
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