################################################################### # 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: -331357413 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 2 -5.6 15.661 21.958 3 -5.4 28.007 32.537 4 -5.3 27.849 32.387 5 -5.2 24.551 29.372 6 -5.2 25.987 32.025 7 -5.1 23.622 28.371 8 -5.0 25.127 31.633 9 -5.0 24.975 28.352 10 -4.9 19.936 26.084 11 -4.9 2.862 7.308 12 -4.9 2.991 5.076 13 -4.9 6.521 13.794 14 -4.9 24.468 29.555 15 -4.9 3.460 9.927 16 -4.8 23.600 27.709 17 -4.8 21.768 25.556 18 -4.8 26.218 29.199 19 -4.7 5.436 11.198 20 -4.5 21.578 27.767 Writing output ... done.