Biomedical Engineering and Bioengineering Commons^™

Structural Bioinformatics Based Method For Predicting The Initial Adsorbed Protein Orientation On A Surface, Aby Thyparambil

All Theses

In any molecular simulation of protein-surface interaction, the selection of the initial orientation with which the protein would interact with the surface must be first made and is found to be critical in the determination of the bioactive state of the adsorbed protein. While various molecular simulation methods have been developed to identify the preferred orientation, these methods are generally computationally expensive and time consuming, especially for large molecules thereby motivating the current study.
The computational implementation for identifying a preferred orientation was done in MATLAB¨ and directly addresses the current research problem by assuming the protein to be rigid …