################################################################### # 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: 475960611 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 2 -7.7 3.925 7.578 3 -7.7 3.325 11.456 4 -7.4 6.646 14.017 5 -7.4 2.900 14.381 6 -7.4 2.718 6.516 7 -7.3 4.001 8.210 8 -7.3 21.450 27.818 9 -7.2 3.356 11.624 10 -7.2 4.160 10.053 11 -7.1 2.976 11.754 12 -7.0 3.652 6.923 13 -7.0 3.168 12.717 14 -7.0 3.807 11.750 15 -6.9 3.510 13.814 16 -6.9 6.046 12.954 17 -6.9 3.610 8.461 18 -6.9 6.200 11.595 19 -6.9 21.316 27.202 Writing output ... done.