################################################################### # 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: -509289210 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 2 -6.2 18.716 23.621 3 -6.2 3.103 11.509 4 -6.1 14.854 20.288 5 -6.0 16.283 21.325 6 -6.0 2.428 11.393 7 -6.0 16.224 22.498 8 -5.9 14.863 22.278 9 -5.9 19.847 24.324 10 -5.9 16.420 22.670 11 -5.9 18.230 22.747 12 -5.9 19.220 26.514 13 -5.9 17.373 24.887 14 -5.8 16.604 22.962 15 -5.8 19.348 23.971 16 -5.7 14.896 22.157 17 -5.7 15.607 20.644 18 -5.7 16.316 23.041 19 -5.6 16.616 22.136 20 -5.5 16.883 22.654 Writing output ... done.