A Multiscale Model for Virus Capsid Dynamics
Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environme...
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| Format: | Article |
| Language: | English |
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Wiley
2010-01-01
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| Series: | International Journal of Biomedical Imaging |
| Online Access: | http://dx.doi.org/10.1155/2010/308627 |
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| _version_ | 1832557074281660416 |
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| author | Changjun Chen Rishu Saxena Guo-Wei Wei |
| author_facet | Changjun Chen Rishu Saxena Guo-Wei Wei |
| author_sort | Changjun Chen |
| collection | DOAJ |
| description | Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. |
| format | Article |
| id | doaj-art-122f1971db2149f391e049a60c2d38f1 |
| institution | Kabale University |
| issn | 1687-4188 1687-4196 |
| language | English |
| publishDate | 2010-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Biomedical Imaging |
| spelling | doaj-art-122f1971db2149f391e049a60c2d38f12025-02-03T05:43:42ZengWileyInternational Journal of Biomedical Imaging1687-41881687-41962010-01-01201010.1155/2010/308627308627A Multiscale Model for Virus Capsid DynamicsChangjun Chen0Rishu Saxena1Guo-Wei Wei2Department of Mathematics, Michigan State University, East Lansing, MI 48824, USADepartment of Mathematics, Michigan State University, East Lansing, MI 48824, USADepartment of Mathematics, Michigan State University, East Lansing, MI 48824, USAViruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.http://dx.doi.org/10.1155/2010/308627 |
| spellingShingle | Changjun Chen Rishu Saxena Guo-Wei Wei A Multiscale Model for Virus Capsid Dynamics International Journal of Biomedical Imaging |
| title | A Multiscale Model for Virus Capsid Dynamics |
| title_full | A Multiscale Model for Virus Capsid Dynamics |
| title_fullStr | A Multiscale Model for Virus Capsid Dynamics |
| title_full_unstemmed | A Multiscale Model for Virus Capsid Dynamics |
| title_short | A Multiscale Model for Virus Capsid Dynamics |
| title_sort | multiscale model for virus capsid dynamics |
| url | http://dx.doi.org/10.1155/2010/308627 |
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