Direct folding simulation of a long helix in explicit water
A recently proposed Polarizable Hydrogen Bond (PHB) method has been employed to simulate the folding of a 53 amino acid helix (PDB ID 2KHK) in explicit water. Under PHB simulation, starting from a fully extended structure, the peptide folds into the native state as confirmed by measured time evoluti...
محفوظ في:
المؤلفون الرئيسيون: | Zhang, John Z. H., Gao, Ya, Lu, Xiaoliang, Duan, Lili, Zhang, Dawei, Mei, Ye |
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مؤلفون آخرون: | School of Physical and Mathematical Sciences |
التنسيق: | مقال |
اللغة: | English |
منشور في: |
2013
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الوصول للمادة أونلاين: | https://hdl.handle.net/10356/98147 http://hdl.handle.net/10220/13304 |
الوسوم: |
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المؤسسة: | Nanyang Technological University |
اللغة: | English |
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