################################################################### # 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: 1548543995 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 2 -8.3 3.568 13.781 3 -8.3 4.994 9.509 4 -8.2 4.357 15.524 5 -8.1 5.123 15.197 6 -8.0 5.185 9.285 7 -8.0 3.931 14.309 8 -7.8 5.255 10.724 9 -7.8 2.475 6.217 10 -7.8 3.929 7.730 11 -7.8 5.699 10.043 12 -7.8 5.141 10.710 13 -7.7 3.278 6.761 14 -7.7 4.568 10.140 15 -7.7 3.740 7.882 16 -7.6 3.264 13.948 17 -7.6 4.818 10.000 18 -7.6 4.014 14.222 19 -7.5 4.955 8.835 20 -7.3 5.376 10.288 Writing output ... done.