################################################################### # 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: 1677203133 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 2 -8.7 3.221 5.762 3 -8.5 5.548 11.025 4 -8.5 16.116 22.269 5 -8.5 3.540 17.645 6 -8.4 5.376 11.098 7 -8.4 16.194 22.714 8 -8.4 4.620 16.929 9 -8.4 3.290 6.654 10 -8.3 3.320 4.914 11 -8.3 2.548 3.912 12 -8.3 8.477 17.095 13 -8.2 16.097 24.335 14 -8.2 3.679 14.901 15 -8.1 7.171 14.128 16 -8.0 3.783 13.623 17 -8.0 3.408 7.758 18 -8.0 3.738 7.942 19 -7.9 10.315 22.910 20 -7.8 16.158 23.762 Writing output ... done.