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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Bibliographic Details
Main Author: Christian, Bope Domilongo
Other Authors: Zhang Zuoqi
Format: Theses and Dissertations
Language:English
Published: 2017
Subjects:
Online Access:http://hdl.handle.net/10356/72871
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Institution: Nanyang Technological University
Language: English
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