@article{912157b29c164f77b3c37b89372b9480,
title = "De Novo Tubular Nanostructure Design Based on Self-Assembly of β-Helical Protein Motifs",
abstract = "We present an approach for designing self-assembled nanostructures from naturally occurring building block segments obtained from native protein structures. We focus on structural motifs from left-handed β-helical proteins. We selected 17 motifs. Copies of each of the motifs are stacked one atop the other. The obtained structures were simulated for long periods by using Molecular Dynamics to test their ability to retain their organization over time. We observed that a structural model based on the self-assembly of a motif from E. coli galactoside acetyltransferase produced a very stable tube. We studied the interactions that help maintain the conformational stability of the systems, focusing on the role of specific amino acids at specific positions. Analysis of these systems and a mutational study of selected candidates revealed that the presence of proline and glycine residues in the loops of β-helical structures greatly enhances the structural stability of the systems.",
author = "Nurit Haspel and David Zanuy and Carlos Alem{\'a}n and Haim Wolfson and Ruth Nussinov",
note = "Funding Information: The computation times are provided by the National Cancer Institute's (NCI) Frederick Advanced Biomedical Supercomputing Center and by the National Institutes of Health (NIH) Biowulf. The research of R.N. and H.W. in Israel has been supported in part by the Center of Excellence in Geometric Computing and Its Applications, funded by the Israel Science Foundation (administered by the Israel Academy of Sciences). This project has been funded in whole or in part with federal funds from the NCI, NIH, under contract number NO1-CO-12400. The content of this publication does not necessarily reflect the view or policies of the Department of Health and Human Services, nor does mention of trade names, commercial products, or organization imply endorsement by the U.S. Government. This research was supported (in part) by the Intramural Research Program of the NIH, NCI, Center for Cancer Research. Part of the computer resources was generously provided by the Barcelona Supercomputer Center (BSC). ",
year = "2006",
month = jul,
doi = "10.1016/j.str.2006.05.016",
language = "אנגלית",
volume = "14",
pages = "1137--1148",
journal = "Structure",
issn = "0969-2126",
publisher = "Cell Press",
number = "7",
}