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Normal mode partitioning of Langevin dynamics for biomolecules
We propose a novel normal mode multiple time stepping Langevin dynamics integrator called NML. The aim is to approximate the kinetics or thermodynamics of a biomolecule by a reduced model based on a normal mode decomposition of the dynamical space. Our basis set uses the eigenvectors of a mass rewei...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2673189/ https://ncbi.nlm.nih.gov/pubmed/18412479 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2883966 |
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