Lovelace's Square - Normalized-2D-radial-pair-distributions

MATLAB routine for calculating normalized two-dimensional radial pair distributions describing the probability of finding a water molecule at a site defined by two reference atoms. Derives volume expressions for spheres limited by perpendicular planes across seven distinct geometric cases. Effective for investigating localized or ordered water sites around flexible molecules such as carbohydrates in molecular dynamics simulations.

Reference: Andersson, C.; Engelsen, S. B. (1999). The mean hydration of carbohydrates as studied by normalized two-dimensional radial pair distributions. Journal of Molecular Graphics and Modelling, 17(2), 101-105. https://doi.org/10.1016/S1093-3263(99)00022-4

Our supporters

Normalized-2D-radial-pair-distributions

Comments (0)

Normalized-2D-radial-pair-distributions

Comments (0)