Modeling of Arylamide Helix Mimetics in the p53 Peptide Binding Site of hDM2 Suggests Parallel and Anti-Parallel Conformations Are Both Stable

Open Access

Peer-reviewed

Research Article

Jonathan C. Fuller,

Affiliations Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, United Kingdom, Department of Chemical Engineering, University of Virginia, Charlottesville, Virginia, United States of America
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Richard M. Jackson,

Affiliation Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, United Kingdom
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Thomas A. Edwards,

Affiliation Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, United Kingdom
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Andrew J. Wilson,

Affiliations Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, United Kingdom, School of Chemistry, University of Leeds, Leeds, United Kingdom
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Michael R. Shirts

* E-mail: michael.shirts@virginia.edu

Affiliation Department of Chemical Engineering, University of Virginia, Charlottesville, Virginia, United States of America
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Molecular dynamics
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Biochemical simulations
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Dihedral angles
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Ethers
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Oxygen
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Protein structure
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Molecular structure
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Protein-protein interactions
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