Computational peptide chemistry

Required Availability

The End of Time

Preferred Majors

Chemical Engineering | Chemistry | Materials Science | Mathematics | Physics

Keywords

chemistry

Description

Advanced computational electronic structure methods will be used to calculate the geometries, vibrational frequencies, energetics, and excited state properties of important compounds of biological interest. Both correlated molecular orbital theory and density functional theory will be used. The focus of the work is on charging of peptides for explaining mass spectrometry results for both cationic and anionic peptides. The cationic work will focus on transition metal ion charging. Both types of studies are relevant to the study of the Human proteome.

Special Directions

please attach cv

Contact Phone #

205-348-8441

Contact Email

dadixon@ua.edu

Research Website

N/A