Ab initio folding of extended α-helix : a theoretical study about the role of electrostatic polarization in the folding of helical structures
In this work, we report the ab initio folding of three different extended helical peptides namely 2khk, N36, and C34 through conventional molecular dynamics simulation at room temperature using implicit solvation model. Employing adaptive hydrogen bond specific charge (AHBC) scheme to account for th...
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| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2013
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/107356 http://hdl.handle.net/10220/17946 http://dx.doi.org/10.1002/prot.24319 |
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| Institution: | Nanyang Technological University |
| Language: | English |