################################################################### # 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: 1137206452 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 -9.4 2.804 5.262 3 -9.3 3.125 10.128 4 -9.1 4.113 9.310 5 -9.0 3.993 7.303 6 -8.8 2.076 2.911 7 -8.8 3.210 12.907 8 -8.8 3.708 7.107 9 -8.7 7.150 15.882 10 -8.6 6.260 11.027 11 -8.6 2.909 6.920 12 -8.6 3.512 8.951 13 -8.6 3.431 7.499 14 -8.5 3.107 13.262 15 -8.5 3.882 12.313 16 -8.5 5.316 10.684 17 -8.5 3.346 12.466 18 -8.4 3.127 11.886 19 -8.3 6.855 15.711 20 -8.2 23.524 27.997 Writing output ... done.