20222055

Algorithm for the calculation of the "accessible surface area (ASA), ... [that is] the surface area of a biomolecule that is accessible to a solvent. The ASA is usually quoted in square Angstrom (a standard unit of measurement in molecular biology). ASA was first described by Lee & Richards in 1971 and is sometimes called the Lee-Richards molecular surface.[1] ASA is typically calculated using the 'rolling ball' algorithm developed by Shrake & Rupley in 1973.[2] This algorithm uses a sphere (of solvent) of a particular radius to 'probe' the surface of the molecule." source: http://en.wikipedia.org/wiki/Accessible_surface_area [1] Lee B, Richards FM. (1971). The interpretation of protein structures: estimation of static accessibility. J Mol Biol 55(3):379-400. doi:10.1016/0022-2836(71)90324-X [2] Lee B, Richards FM. (1971). The interpretation of protein structures: estimation of static accessibility. J Mol Biol 55(3):379-400. doi:10.1016/0022-2836(71)90324-X

molecular surface area algorithms