Folding and thermodynamic studies of Trp-cage based on polarized force field

• المؤلفون الرئيسيون: Zhang, John Z. H., Mei, Ye, Wei, Caiyi, Yip, Yew Mun, Ho, Chun Ying, Zhang, Dawei
• مؤلفون آخرون: School of Physical and Mathematical Sciences
• التنسيق: مقال
• اللغة: English
• منشور في: 2013
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/97490; http://hdl.handle.net/10220/11848

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...