Molecular modeling and simulation for proteins and polymer membranes
A computational framework was used to expand the applicable length and time scale of molecular dynamics simulations (MD) by developing a multiscale CG parameterization approach for biomolecules, and an investigation on the adsorption mechanism of an endocrine disrupting compound onto polymer membran...
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| Formato: | Tese |
| Idioma: | English |
| Publicado em: |
2017
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| Acesso em linha: | http://hdl.handle.net/10356/72871 |