Bio-geometry: challenges, approaches, and future opportunities in proteomics and drug discovery

ABSTRACT

Biology has been an experimental science until the recent prominence of Bioinformatics and Computational Biology. With the discovery of the DNA sequence the protein structure determination is now an emerging challenge. The protein structure is closely coupled to the function. Today, with the given increase in available computing power and no-cost storage, the ability to do computational experiments is emerging as a core competence necessary for rapid discovery in the future. The ability to include various complex physics such as electrostatics and hydrophobic interactions in realistic simulations has increased. The discovery of structure of proteins is the next frontier for a number of convergent areas in science. Hence the combination of geometry and physics becomes very critical to do realistic computational experiments.