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. Author manuscript; available in PMC: 2014 Apr 8.
Published in final edited form as: J Chem Theory Comput. 2009 Nov 12;6(1):203–211. doi: 10.1021/ct900381r

Table 2.

Solver Times (second) of Two Inexact Newton Methods for the 22 Largest Nucleic Acids in the Test Set of 364 Nucleic Acids. Natom: atom number; Ngrid: grid number.

Nucleic Acids N atom N grid NT-MG NT-ICCG
1EHZ 2509 7258191 51.71 131.35
1EVV 2509 6650175 46.76 108.97
1I2Y 2124 3820287 18.31 51.83
1NUJ 3112 7498575 53.54 140.65
1NUV 3112 7498575 53.97 142.65
1Q96 2616 4887087 31.08 80.03
1U8D 2145 3285711 20.83 44.12
1ZCI 2448 5980975 34.74 107.87
244D 3120 4956175 34.81 79.97
2DZ7 2032 2597023 17.35 28.18
2EES 2145 3285711 20.43 48.83
2EET 2147 3285711 20.89 46.78
2EEU 2145 3285711 20.71 46.67
2EEV 2147 3285711 20.75 48.43
2G3S 2580 4779775 26.27 77.83
2G9C 2144 3285711 20.67 48.07
2GWQ 3128 6286383 40.55 104.68
352D 3024 4956175 34.75 90.32
3BNN 2696 8078175 57.32 146.12
3D2V 4970 8299375 61.94 164.3
2Z75 4646 11979711 102.47 225.23
3DIL 5569 15218175 126.39 383.26