Emergent complexity from simple anisotropic building blocks: shells, tubes, and spirals.
作者： Szilard N. Fejer , Dwaipayan Chakrabarti , David J. Wales
DOI: 10.1021/NN9013565
关键词:
摘要: We describe a remarkably simple, generic, coarse-grained model involving anisotropic interactions, and characterize the global minima for clusters as function of various parameters. Appropriate choices interactions can reproduce wide variety complex morphologies minima, including spheroidal shells, tubular, helical even head-tail morphologies, elucidating physical principles that drive assembly these mesoscopic structures. Our captures several experimental observations, such existence competing capsid polymorphism, effect scaffolding proteins on assembly.
acs.org
core.ac.uk 
sci-hub.se 参考文章(45)
David J. Wales, Mark A. Miller, Tiffany R. Walsh, Archetypal energy landscapes Nature. ,vol. 394, pp. 758- 760 ,(1998) , 10.1038/29487
R. Zandi, D. Reguera, R. F. Bruinsma, W. M. Gelbart, J. Rudnick, Origin of icosahedral symmetry in viruses Proceedings of the National Academy of Sciences of the United States of America. ,vol. 101, pp. 15556- 15560 ,(2004) , 10.1073/PNAS.0405844101
Su Li, Christopher P. Hill, Wesley I. Sundquist, John T. Finch, Image reconstructions of helical assemblies of the HIV-1 CA protein Nature. ,vol. 407, pp. 409- 413 ,(2000) , 10.1038/35030177
Oren M. Becker, Martin Karplus, The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics Journal of Chemical Physics. ,vol. 106, pp. 1495- 1517 ,(1997) , 10.1063/1.473299
D.M. Salunke, D.L. Caspar, R.L. Garcea, Polymorphism in the assembly of polyomavirus capsid protein VP1 Biophysical Journal. ,vol. 56, pp. 887- 900 ,(1989) , 10.1016/S0006-3495(89)82735-3
Jennifer M. Johnson, Jinghua Tang, Yaw Nyame, Deborah Willits, Mark J. Young, Adam Zlotnick, Regulating self-assembly of spherical oligomers. Nano Letters. ,vol. 5, pp. 765- 770 ,(2005) , 10.1021/NL050274Q
Dwaipayan Chakrabarti, David J. Wales, Simulations of rigid bodies in an angle-axis framework. Physical Chemistry Chemical Physics. ,vol. 11, pp. 1970- 1976 ,(2009) , 10.1039/B818054G
Thomas Guérin, Robijn Bruinsma, Theory of conformational transitions of viral shells. Physical Review E. ,vol. 76, pp. 061911- ,(2007) , 10.1103/PHYSREVE.76.061911
Hung D. Nguyen, Vijay S. Reddy, Charles L. Brooks III, Invariant Polymorphism in Virus Capsid Assembly Journal of the American Chemical Society. ,vol. 131, pp. 2606- 2614 ,(2009) , 10.1021/JA807730X
Stephen Cusack, Gert T. Oostergetel, Peter C.J. Krijgsman, Jan E. Mellema, A. Klug, Structure of the Top a-t component of alfalfa mosaic virus. A non-icosahedral virion. Journal of Molecular Biology. ,vol. 171, pp. 139- 155 ,(1983) , 10.1016/S0022-2836(83)80350-7