Assigning crystallographic electron densities with free energy calculations—The case of the fluoride channel Fluc

Open Access

Peer-reviewed

Research Article

About the Authors

Igor Ariz-Extreme

Roles Data curation, Formal analysis, Investigation, Writing – original draft

Affiliation Institute for Microbiology and Genetics, University of Goettingen, Göttingen, Germany

Jochen S. Hub

Roles Funding acquisition, Project administration, Resources, Supervision, Writing – review & editing

Current address: Saarland University, Theoretical Physics, Saarbrücken, Germany

Affiliation Institute for Microbiology and Genetics, University of Goettingen, Göttingen, Germany

The authors have declared that no competing interests exist.

Fluorides
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Free energy
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Biochemical simulations
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Electron density
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Crystal structure
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Sodium
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Oxygen
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Molecular dynamics
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