Predicting surface properties of proteins on the Connolly molecular surface

摘要

A novel approach has been developed to obtain surface properties of a protein togive a better interpretation of the surface related phenomena, in particular proteinattachment on polymer surface. This is achieved by extending the concept ofmolecular surface to find out relevant surface characteristics determiningthe interaction behaviour. The Connolly molecular surface is useful inthe modelling and computation of surface properties, which could be offundamental importance to surface-based protein science and engineering. Amethodology for obtaining electron charge, hydrophobicity as well as-helix and-sheetstructural indices has been developed.