Mathematical Problems in Engineering / 2015 / Article / Tab 2

Research Article

A New Approach for Flexible Molecular Docking Based on Swarm Intelligence

Table 2

Comparison of docking energy and RMSD values of QLDock, QDock, and AutoDock.

PDBQLDockQDockAutoDock
RMSDRMSD RMSD

1aaq−13.18−3.961.64−7.88−2.753.90−5.98−2.842.96
1apt−11.35−2.431.73−3.72−2.211.38−7.74−0.791.92
1epo−10.67−1.542.64−6.27−4.343.11−5.97−0.215.13
1apu−10.25−2.532.11−6.79−2.661.89−3.03−3.191.54
1icn−10.57−0.821.40−7.78−0.481.94−5.47−0.263.49
4phv−15.17−2.861.37−11.67−1.652.88−10.15−1.882.17
1hpv−11.25−3.531.60−5.9−2.482.16−6.03−2.872.51
2ifb−9.70−0.551.06−6.87−0.411.61−10.91−0.491.40
1htf−9.4−5.091.64−10.25−2.403.87−4.87−4.043.09
1phg−19.23−3.530.62−16.26−1.942.30−13.5−3.570.91
1cdg−7.04−2.823.67−6.1−2.283.63−9.401.193.33
1nsc−2.54−5.491.58−4.5−2.952.49−1.04−3.831.65
1hvr−14.79−3.640.95−8.18−2.721.81−10.7−4.280.78
1nnb−3.68−3.721.96−3.66−1.671.12−3.82−1.981.03
1nsd−6.14−2.971.75−3.68−2.821.16−4.24−2.282.21
3tmn−7.69−1.864.15−2.40−2.504.20−6.52−1.036.47
2mcp−4.08−1.002.38−3.17−1.041.50−2.39−0.741.92
1abf−6.91−0.960.78−5.62−0.890.36−6.85−1.200.61
1tnk−7.09−0.090.63−5.570.051.93−7.38−0.120.82
1tnj−6.51−0.061.10−6.10−0.091.31−6.34−0.080.91
1gsp−6.99−1.101.69−3.52−0.654.01−7.35−0.511.79
1tng−6.950.040.96−5.850.010.98−6.620.020.99
1tnl−6.90−0.120.59−4.14−0.122.25−6.95−0.120.72

We are committed to sharing findings related to COVID-19 as quickly as possible. We will be providing unlimited waivers of publication charges for accepted research articles as well as case reports and case series related to COVID-19. Review articles are excluded from this waiver policy. Sign up here as a reviewer to help fast-track new submissions.