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David Curcó, Guillem Revilla-López, Carlos Alemán and David Zanuy Atomistic modeling of peptides bound to a chemically active surface: conformational implications Journal of Peptide Science 17

Article first published online: 3 JAN 2011 | DOI: 10.1002/psc.1321

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A new computation procedure to study the organization of peptides tethered to active surfaces is reported. The influence of the surface on the conformational preferences has been investigated by simulating CREKA (Cys-Arg-Glu-Lys-Ala), a short linear pentapeptide that recognizes clotted plasma proteins and selectively homes to tumors, covalently linked to a gold surface.

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