Folding and thermodynamic studies of Trp-cage based on polarized force field
Two replica exchange molecular dynamics (REMD) simulations were carried out to study the thermodynamics of a 20-residue Trp-cage folding based on a newly developed polarized protein-specific charge (PPC). Starting from a fully extended conformation, Trp-cage native conformation was successfully samp...
Main Authors: | Zhang, John Z. H., Mei, Ye, Wei, Caiyi, Yip, Yew Mun, Ho, Chun Ying, Zhang, Dawei |
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Other Authors: | School of Physical and Mathematical Sciences |
Format: | Journal Article |
Language: | English |
Published: |
2013
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Online Access: | https://hdl.handle.net/10356/97490 http://hdl.handle.net/10220/11848 |
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