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Molecular surfaces

The surfaces of proteins are usually defined by the abstract process of rolling a hypothetical spherical water molecule over the van der Waals surface of a protein as illustrated in Figure 1.2. Three usable definitions result: accessible and contact surfaces[Lee & Richards, 1971] and the molecular surface[Connolly, 1983].

Figure 1.2: Definitions of molecular surfaces. Adapted from Connollyconnolly:netsci.
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Copyright Bob MacCallum - DISCLAIMER: this was written in 1997 and may contain out-of-date information.