Protein Structure and Function. Application of Bioinformatics Methods - John Rigden 2014

Predicting Protein Function from Surface Properties
Methods of Surface Representation
Van der Waals Surface

Although the van der Waals surface is rarely used on its own to describe a molecular surface, It is important to mention it as it serves as the foundation for subsequent Structure/97.html">Definitions. Atoms within a molecule are represented as overlapping spheres, where the radius of each sphere corresponds to the van der Waals radius of the respective atom. The van der Waals surface of a molecule thus constitutes the outer envelope of these atomic spheres. While this surface representation leads to apparent cavities within the Cell/13.html">Protein Structure and is therefore seldom used when analyzing protein surfaces (Fig. 7.1), it provides the basis for a widely used graphical representation of molecular three-dimensional structure known as the Corey-Pauling-Koltun (CPK) model or space-filling model.

Nicholas J. Burgoyne and Richard M. Jackson

Institute of MOLECULAR AND CELLULAR Biology, Faculty of Biological Science, University of Leeds, Leeds, LS2 9JT, UK

*e-mai1: r.m.jackson@leeds.ac.uk



Last update: 06/08/2026

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