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 |