################################################################### # 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: 639215760 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 2 -8.1 7.767 14.984 3 -8.0 2.550 5.170 4 -8.0 2.307 3.739 5 -8.0 5.855 11.446 6 -8.0 3.157 16.124 7 -8.0 3.124 16.288 8 -7.9 3.115 16.975 9 -7.9 2.207 2.954 10 -7.8 2.366 4.147 11 -7.8 2.898 16.496 12 -7.8 6.689 18.063 13 -7.8 4.415 15.487 14 -7.7 3.082 16.656 15 -7.7 2.377 3.887 16 -7.7 2.352 16.132 17 -7.7 3.464 6.422 18 -7.7 2.175 3.822 19 -7.7 4.111 8.576 20 -7.6 3.003 5.601 Writing output ... done.