################################################################### # 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: 1685487430 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.1 0.000 0.000 2 -5.9 28.414 32.852 3 -5.9 27.420 33.063 4 -5.7 27.741 33.796 5 -5.7 27.169 32.790 6 -5.6 28.051 33.374 7 -5.6 29.681 33.004 8 -5.5 28.390 33.324 9 -5.5 5.347 10.943 10 -5.5 5.459 11.951 11 -5.5 10.660 15.825 12 -5.5 28.198 32.020 13 -5.5 3.939 8.297 14 -5.5 25.533 31.944 15 -5.4 5.154 12.748 16 -5.4 5.823 10.147 17 -5.4 28.733 33.191 18 -5.3 28.546 34.952 19 -5.3 17.934 22.720 20 -5.3 4.774 12.708 Writing output ... done.