################################################################### # 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: 1373070808 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 2 -6.4 25.722 33.832 3 -6.0 23.344 31.450 4 -6.0 21.188 26.672 5 -6.0 29.379 36.960 6 -6.0 28.057 36.495 7 -5.9 21.226 27.550 8 -5.9 25.220 31.368 9 -5.9 24.540 31.245 10 -5.8 21.390 28.346 11 -5.8 20.807 24.261 12 -5.8 24.544 32.352 13 -5.7 21.566 26.489 14 -5.7 22.991 28.021 15 -5.6 4.758 8.394 16 -5.6 24.507 31.921 17 -5.6 20.903 28.502 18 -5.5 22.153 28.762 19 -5.5 24.203 30.974 20 -5.4 20.576 27.091 Writing output ... done.