################################################################### # 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: -697719292 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 2 -6.5 6.610 12.452 3 -6.2 2.410 10.384 4 -6.0 9.337 15.232 5 -6.0 3.742 10.139 6 -5.9 25.939 31.244 7 -5.9 23.650 30.045 8 -5.9 3.992 13.104 9 -5.8 26.299 32.425 10 -5.7 24.752 28.591 11 -5.7 6.618 11.939 12 -5.6 5.759 10.586 13 -5.5 23.252 29.512 14 -5.5 32.718 38.286 15 -5.5 26.813 31.540 16 -5.4 4.328 8.941 17 -5.4 26.830 33.394 18 -5.3 27.517 32.459 19 -5.3 27.589 32.453 20 -5.3 24.116 29.806 Writing output ... done.