The mechanism of antiparallel β-sheet formation based on conditioned self-avoiding walk

• Main Authors: Goh, Boon Chong, Leong, Hon Wai, Qu, Xiaohui, Chew, Lock Yue
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2013
• Subjects: DRNTU::Science
• Online Access: https://hdl.handle.net/10356/99307; http://hdl.handle.net/10220/16223
• Institution: Nanyang Technological University

By introducing an additional hydrogen bond to hydrogen bond interaction in the force field of the CSAW (Conditioned Self-Avoiding Walk) model, we investigate into the mechanism of antiparallel β-sheet formation based on the folding of a short polyalanine in gas phase. Through our numerical simulatio...