Computer simulation of calcium phosphate prenucleation complexes in water
What is it about?
Calcium phosphates originate from prenucleation complexes already present in solution before nucleation. In the literature, a calcium triphosphate complex is proposed as prenucleation stage. We have investigated the stability of the complex hypothesized in the literature using computational tools (Ab Initio Molecular Dynamics and Umbrella Sampling technique)
Why is it important?
Computational tools provide information on a timescale inaccessible to the experiment
The following have contributed to this page: Dr Giulia Mancardi