################################################################### # 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: 1819668760 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 -7.6 18.639 24.011 3 -7.6 2.842 8.033 4 -7.5 20.619 27.127 5 -7.3 24.771 31.430 6 -7.3 18.219 23.238 7 -7.3 4.327 12.960 8 -7.3 20.658 27.058 9 -7.2 19.203 25.930 10 -7.2 19.816 26.407 11 -7.1 19.473 26.032 12 -7.1 6.400 11.745 13 -7.1 21.197 27.274 14 -7.0 19.148 26.190 15 -6.9 6.480 12.158 16 -6.9 22.761 28.722 17 -6.9 3.516 12.238 18 -6.8 22.514 29.191 19 -6.8 3.130 6.851 20 -6.7 4.295 11.369 Writing output ... done.