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| http://dx.doi.org/10.1111/cod.14084 | DOI Listing |
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Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Computationally designed 29-residue peptides yield tetra-α-helical bundles with symmetry. The "bundlemers" can be bifunctionally linked via thiol-maleimide cross-links at their N-termini, yielding supramolecular polymers with unusually large, micrometer-scale persistence lengths. To provide a molecularly resolved understanding of these systems, all-atom molecular modeling and simulations of linked bundlemers in explicit solvent are presented.
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