Molecular Biology Commons^™

Chemical Information Based Elastic Network Model: A Novel Way To Identification Of Vibration Frequencies In Proteins., Sharad K. Raj

Masters Theses 1911 - February 2014

A novel method of analysis of macromolecules has been worked upon through this research. In an effort to understand the dynamics of macromolecules and to further our knowledge, pertaining specifically to the low frequency domain and also to elucidate certain important biological functions associated with it, a theoretical technique of chemical information based Normal Mode Analysis has been developed. These simulations render users with the ability to generate animations of modeshapes as well as key insight on the associated vibration frequencies. Harmonic analysis using atomistic details is performed taking into account appropriate values of masses of constituent atoms of a …