| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386017 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
⺠Three novel schemes on the basis of newly developed polarized protein-specific charge (PPC) have been proposed to perform protein structure refinement. ⺠The newly developed polarized protein-specific charge (PPC) can recover the broken H-bonds which are generated in the MD simulation on the basis of the conventional standard charge. ⺠This work is an implication for PPC's ability to refine experimental raw structures, such as NMR structure.
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Authors
Zhijun Xu, Ye Mei, Lili Duan, Dawei Zhang,