Members

Working Group Description

Members in the Biophysical and Computational Chemistry working group share common interests in investigating drugs, drug targets, and their interactions using quantitative approaches. The research pursued by the members of this working group is focused on designing novel drugs, elucidating the mechanisms of drug-target intereactions, and understanding the structure and conformations of drug targets. Members of this group pursue these goals by employing state-of-the-art experimental (circular dichroism, fluorescence, NMR, mass spectrometry, etc.) and computational (molecular modeling and molecular dynamics) tools. The research in this working group relies heavily on principles of biophysical chemistry, bioanalytical chemistry, computational chemistry, protein chemistry, and structural biology. Members in this working group are specialized in the following research areas:

1. Molecular modeling of protein-drug interactions
2. Rational drug design
3. Molecular dynamics simulations of protein conformations
4. Protein folding and misfolding
5. Biophysical analysis of protein-drug interactions
6. NMR spectroscopy of proteins
7. Biomolecular mass spectrometry of drug target proteins