################################################################### # 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: -683196265 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 2 -9.5 3.002 16.560 3 -9.3 1.906 3.216 4 -9.1 2.667 17.076 5 -8.9 2.200 3.816 6 -8.8 3.088 16.908 7 -8.8 2.016 2.773 8 -8.7 3.819 16.785 9 -8.7 2.250 3.436 10 -8.6 3.349 16.287 11 -8.6 5.086 10.354 12 -8.4 2.639 6.594 13 -8.4 2.780 5.520 14 -8.3 6.414 18.999 15 -8.3 2.510 4.065 16 -8.2 2.111 2.770 17 -8.2 9.668 21.048 18 -8.1 2.128 3.160 Writing output ... done.