Simulation parameter determination method

Data processing: structural design – modeling – simulation – and em – Modeling by mathematical expression

Reexamination Certificate

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C702S027000, C345S419000

Reexamination Certificate

active

07729892

ABSTRACT:
Provided is a method for reducing the amount of calculation time required for parameter determination, and for reducing the amount of calculation time required for parameter determination in satisfaction with a desired accuracy. The method includes preferentially selecting analysis objects, which are capable of providing parameter determination within a high degree of certainty, and controlling a calculation order of the selected analysis objects using a calculation order list.

REFERENCES:
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patent: 7047171 (2006-05-01), Sproch
patent: 2003/0167159 (2003-09-01), Goddard et al.
patent: 2005/0119837 (2005-06-01), Prakash et al.
patent: 2005/0171746 (2005-08-01), Thalhammer-Reyero
Motoi Tobita et al., “BirdsAnts: A Protein-Small Molecule Interaction Viewer”, Chem-Bio Informatics Journal, 2006, vol. 6, No. 1, pp. 17-28.
Vincenzo Barone et al., “a New Definition of Cavities for the Computation of Solvation Free Energies by the Polarizable Continuum Model”, J. Chem. Phys. vol. 107, No. 8 (Aug. 22, 1997), pp. 3210-3221.

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