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Recent Developments in Molecular Simulation Approaches to Study Spherical Virus Capsids.

ABSTRACT: Viruses are a particularly challenging systems to study via molecular simulation methods. Virus capsids typically consist of over 100 subunit proteins and reach dimensions of over 100 nm; solvated viruses capsid systems can be over 1 million atoms in size. In this review, I will present recent developments which have attempted to overcome the significant computational expense to perform simulations which can inform experimental studies, make useful predictions about biological phenomena and calculate material properties relevant to nanotechnology design efforts.

SUBMITTER: May ER

PROVIDER: S-EPMC4153711 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Recent Developments in Molecular Simulation Approaches to Study Spherical Virus Capsids.

May Eric R ER

Molecular simulation 20140401 10-11

Viruses are a particularly challenging systems to study via molecular simulation methods. Virus capsids typically consist of over 100 subunit proteins and reach dimensions of over 100 nm; solvated viruses capsid systems can be over 1 million atoms in size. In this review, I will present recent developments which have attempted to overcome the significant computational expense to perform simulations which can inform experimental studies, make useful predictions about biological phenomena and calc ...[more]

PMID: 25197162

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