A novel method combining the ab initio calculation and TDC model was established and used to construct the corresponding Hessian matrices of MbCO and flavodoxin proteins. After carrying out the normal mode analyses, delocalization of the amide I vibrational normal mode was investigated in detail. The resultant data were analyzed in detail.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry