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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| Format: | Thesis |
| Language: | English |
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2017
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| Online Access: | http://hdl.handle.net/10356/72871 |