Computational design of virus-like protein assemblies on carbon nanotube surfaces |
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| Authors: | Grigoryan Gevorg Kim Yong Ho Acharya Rudresh Axelrod Kevin Jain Rishabh M Willis Lauren Drndic Marija Kikkawa James M DeGrado William F |
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| Institution: | Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA 19104, USA. |
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| Abstract: | There is a general need for the engineering of protein-like molecules that organize into geometrically specific superstructures on molecular surfaces, directing further functionalization to create richly textured, multilayered assemblies. Here we describe a computational approach whereby the surface properties and symmetry of a targeted surface define the sequence and superstructure of surface-organizing peptides. Computational design proceeds in a series of steps that encode both surface recognition and favorable intersubunit packing interactions. This procedure is exemplified in the design of peptides that assemble into a tubular structure surrounding single-walled carbon nanotubes (SWNTs). The geometrically defined, virus-like coating created by these peptides converts the smooth surfaces of SWNTs into highly textured assemblies with long-scale order, capable of directing the assembly of gold nanoparticles into helical arrays along the SWNT axis. |
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