################################################################### # 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: -1838257812 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 2 -7.1 3.090 14.640 3 -7.1 4.217 14.085 4 -7.1 4.142 8.597 5 -7.0 2.517 13.077 6 -6.8 3.873 14.923 7 -6.8 18.830 23.107 8 -6.7 3.112 15.202 9 -6.7 20.519 25.969 10 -6.7 3.743 15.470 11 -6.6 5.934 12.352 12 -6.6 3.095 14.221 13 -6.5 3.526 14.446 14 -6.5 3.537 15.157 15 -6.5 3.110 14.570 16 -6.5 4.145 8.319 17 -6.4 7.594 11.241 18 -6.4 2.701 6.297 19 -6.3 20.206 25.581 20 -6.3 26.935 31.502 Writing output ... done.