Electronic polarization effects on protein pdb 2khk.

• Main Author: Chew, Xiu Qian.
• Other Authors: Zhang Aidong
• Format: Final Year Project
• Language: English
• Published: 2010
• Subjects: DRNTU::Science::Chemistry::Physical chemistry::Electrochemistry
• Online Access: http://hdl.handle.net/10356/38872
• Institution: Nanyang Technological University

Standard AMBER charge model with non-polarized force fields and polarized protein-specific charge (PPC) charge model with polarized force fields were employed to study Molecular Dynamics (MD) simulations and their effects on Protein Data Bank (PDB) entry 2KHK which consists of 53 amino acids, b30 to...