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Filtering by: Creator Reardon, Patrick N. Creator Qafoku, Nikolla P.

AndersenProteinMineralInteractionsSupplementaryInfo.pdf

Creator:

Andersen, Amity, Reardon, Patrick N., Chacon, Stephany S., Qafoku, Nikolla P., Washton, Nancy M., and Kleber, Markus

Abstract:

Molecular dynamics simulations, conventional and metadynamics, were performed to determine the interaction of model protein Gb1 over kaolinite (001), Na⁺-montmorillonite (001), Ca²⁺-montmorillonite (001), goethite (100), and Na⁺-birnessite (001) mineral surfaces. Gb1, a small (56 residue) protein with a well-characterized solution-state nuclear magnetic resonance (NMR) structure and having α-helix, 4-fold β-sheet,...
AndersenProteinMineralInteractions.pdf

Creator:

Andersen, Amity, Reardon, Patrick N., Chacon, Stephany S., Qafoku, Nikolla P., Washton, Nancy M., and Kleber, Markus

Abstract:

Molecular dynamics simulations, conventional and metadynamics, were performed to determine the interaction of model protein Gb1 over kaolinite (001), Na⁺-montmorillonite (001), Ca²⁺-montmorillonite (001), goethite (100), and Na⁺-birnessite (001) mineral surfaces. Gb1, a small (56 residue) protein with a well-characterized solution-state nuclear magnetic resonance (NMR) structure and having α-helix, 4-fold β-sheet,...
Protein–Mineral Interactions: Molecular Dynamics Simulations Capture Importance of Variations in Mineral Surface Composition and Structure

Creator:

Andersen, Amity, Reardon, Patrick N., Chacon, Stephany S., Qafoku, Nikolla P., Washton, Nancy M., and Kleber, Markus

Abstract:

Molecular dynamics simulations, conventional and metadynamics, were performed to determine the interaction of model protein Gb1 over kaolinite (001), Na⁺-montmorillonite (001), Ca²⁺-montmorillonite (001), goethite (100), and Na⁺-birnessite (001) mineral surfaces. Gb1, a small (56 residue) protein with a well-characterized solution-state nuclear magnetic resonance (NMR) structure and having α-helix, 4-fold β-sheet,...

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Article

ScholarsArchive@OSU

AndersenProteinMineralInteractionsSupplementaryInfo.pdf

AndersenProteinMineralInteractions.pdf

Protein–Mineral Interactions: Molecular Dynamics Simulations Capture Importance of Variations in Mineral Surface Composition and Structure

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