Accessible Surface
-Continuous sheet defined by the position of the center of the center of the probe as the solvent probe is rolled over the protein
-Is not smooth or continuously differentiable
-Two ways of calculating accessible surface
- Lee and Richards (1970)
- Slice protein into sections
- Each atom is given radius = Van der Waals radius + solvent probe radius
- For each atom, find the circle corresponding to the intersection of its sphere with the sectioning plane
- Remove parts of each circle that are occluded by other circles
- Get surface of each atom by multiplying non-occluded arc length by the sectioning width
- Add the surfaces of all atoms together to get the total surface
- Shrake and Rupley (Dot method)
- Each atom surrounded by sphere of evenly spaced dots (92 dots/atom)
- Dots contained in another atom's sphere of dots are removed

Next |
Previous