Local and macroscopic electrostatic interactions in single α-helices

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Local and macroscopic electrostatic interactions in single α-helices.

The noncovalent forces that stabilize protein structures are not fully understood. One way to address this is to study equilibria between unfolded states and α-helices in peptides. Electrostatic forces-which include interactions between side chains, the backbone and side chains, and side chains and the helix macrodipole-are believed to contribute to these equilibria. Here we probe these interac...

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The vibron dynamics associated to amide-I vibrations in a 3D α-helix is described according to a generalized Davydov model. The helix is modeled by three spines of hydrogen-bonded peptide units linked via covalent bonds. To remove the intramolecular anharmonicity of each amide-I mode and to renormalized the vibron-phonon coupling, two unitary transformation have been applied to reach the dresse...

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ژورنال

عنوان ژورنال: Nature Chemical Biology

سال: 2015

ISSN: 1552-4450,1552-4469

DOI: 10.1038/nchembio.1739