Credits



In the first place, we wish to acknowledge the contribution to our project of OpenBabel, which allowed to speed up the development of the atom typing code; thanks to all OpenBabel developers and in particular to Geoffrey Hutchison, who merged in real time our changes and additions to the OpenBabel development trunk.

Additionally, we wish to cite the authors of some algorithms we used in Open3DGRID, and namely:



Program testing has been carried out taking advantage of the ShareGrid distributed platform [3].

REFERENCES

  1. Lekien, F.; Marsden, J. Int. J. Numer. Methods Eng. 2005, 63, 455-471.   DOI
  2. Matsumoto, M.; Nishimura, T. ACM Trans. Model. Comput. Simul. 1998, 8, 3-30.   DOI
  3. Anglano, C.; Canonico, M.; Guazzone, M.; Botta, M.; Rabellino, S.; Arena, S.; Girardi, G. Proceedings of CCGRID'08, May 2008, Lyon (France), IEEE Press.   DOI