################################################################### # If you used Vina-GPU in your work, please cite: # # # # Tang, S.; Chen, R.; Lin, M.; Lin, Q.; Zhu, Y.; Ding, J.; Hu, H.;# # Ling, M.; Wu, J. Accelerating AutoDock Vina with GPUs. # # Molecules 2022, 27, 3041. # # https://doi.org/10.3390/molecules27093041 # # # # And also the origin AutoDock Vina paper: # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # ################################################################### WARNING: The search space volume > 27000 Angstrom^3 (See FAQ) Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -427967142 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 2 -6.7 2.496 6.713 3 -6.5 2.309 9.355 4 -6.5 2.476 4.319 5 -6.4 2.448 7.594 6 -6.4 2.647 4.227 7 -6.3 2.642 6.309 8 -6.3 2.777 5.644 9 -6.2 2.624 6.825 10 -6.2 2.999 6.226 11 -6.1 2.500 9.453 12 -6.1 2.678 6.297 13 -6.1 2.236 9.733 14 -6.0 2.649 4.868 15 -6.0 2.480 7.196 16 -6.0 2.696 5.131 17 -6.0 3.122 6.047 18 -5.9 2.682 7.158 19 -5.9 2.720 7.086 20 -5.8 2.965 6.377 Writing output ... done.