################################################################### # 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: 1752090604 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 2 -7.9 9.220 18.152 3 -7.8 8.188 13.348 4 -7.6 8.565 16.906 5 -7.5 3.495 5.436 6 -7.5 5.704 10.503 7 -7.5 10.080 13.986 8 -7.5 8.991 19.055 9 -7.3 9.076 17.664 10 -7.3 9.976 18.124 11 -7.3 6.618 10.828 12 -7.3 6.337 13.028 13 -7.2 10.563 18.277 14 -7.2 7.947 13.785 15 -7.1 10.054 16.706 16 -7.1 9.578 15.566 17 -7.1 10.004 16.367 18 -7.0 8.359 14.320 19 -7.0 4.538 10.490 20 -7.0 8.701 19.277 Writing output ... done.