Erratum: “An energy-based mapping method for identifying the in-plane orientations of polypeptides and other macromolecules at crystalline interfaces” [J. Chem. Phys. 112, 5144 (2000)]

The challenge of biominerals to simulations

“…[41][42][43][44] Calculations that attempt to model a surface using a cluster are also of little value. 45 The studies [46][47][48] of the orientation of macromolecules on inorganic surfaces, although plausible for ice, suffer from the same problem with potentials when the methods are used for calcite.…”