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Advanced Techniques for Constrained Internal Coordinate Molecular Dynamics
Internal coordinate molecular dynamics (ICMD) methods provide a more natural description of a protein by using bond, angle and torsional coordinates instead of a Cartesian coordinate representation. Freezing high frequency bonds and angles in the ICMD model gives rise to constrained ICMD (CICMD) mod...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3835462/ https://ncbi.nlm.nih.gov/pubmed/23345138 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23200 |
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