Title: An Isometry-invariant Spectral Approach for Macro-molecular Docking.

Abstract:
'The Protein Docking Problem' is the generic phrase which refers to finding the sections/sites or segments of protein molecules on which other protein molecules may dock (or bind). These docking sites are very essential in the discovery of new drugs (during Drug Design) for treating several diseases. Unfortunately, the current methods for finding such docking sites are cumbersome and computationally expensive. Meaning only big research labs with expensive dedicated computing machines have the means of exploring proteins for such medical analysis. Our research therefore seeks to drastically simplify this explorative process by focusing on computations applied to the spectral representation of the complex 3-dimensional protein objects, thereby enabling smaller research labs, professors and students alike with regular computers to achieve similar analytical capabilities.