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Local rule-based theory of virus shell assembly
B Berger1, P W Shor, L Tucker-Kellogg
1Mathematics Department, Massachusetts Institute of Technology, Cambridge 02139.
Summary
A new theory explains virus shell self-assembly using local protein interactions, not large blocks. This framework clarifies icosahedral virus structures and malformations observed in nature.
Area of Science:
- Structural Biology
- Biophysics
- Computational Biology
Background:
- Icosahedral virus shell assembly has been explained by quasiequivalence theory.
- Polyoma virus structures violate quasiequivalence, posing a long-standing puzzle.
- Understanding virus assembly requires a comprehensive theoretical framework.
Purpose of the Study:
- To develop a local rule-based theory for icosahedral virus self-assembly.
- To provide a unified framework for understanding diverse icosahedral virus structures.
- To investigate the role of local interactions and tolerance margins in assembly.
Main Methods:
- Development of a local rule-based theoretical model.
- Computer simulations to investigate tolerance margins for local rules.
- Analysis of protein subunit interactions and energetically favorable arrangements.
Main Results:
- The local rule theory successfully explains the assembly of icosahedral viruses, including those violating quasiequivalence.
- Local rules, acting as templates for favorable arrangements, govern self-assembly.
- Computer simulations revealed that exceeding tolerance margins leads to observed 'spiraling' malformations.
Conclusions:
- Icosahedral virus shell self-assembly is governed by local protein subunit interactions.
- The local rule theory offers a robust framework for understanding virus assembly and malformations.
- This model reconciles existing theories and explains previously puzzling viral structures.