################################################################### # 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: -1432987734 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 2 -7.1 25.688 32.077 3 -7.0 4.293 9.278 4 -6.9 18.826 23.038 5 -6.9 4.404 13.925 6 -6.8 3.797 7.517 7 -6.8 3.476 13.874 8 -6.8 3.895 7.215 9 -6.7 3.502 7.436 10 -6.7 3.565 6.430 11 -6.6 4.468 8.917 12 -6.5 20.540 25.429 13 -6.5 3.153 13.775 14 -6.5 30.010 33.669 15 -6.5 3.481 7.098 16 -6.5 3.540 8.195 17 -6.5 3.707 6.090 18 -6.4 4.352 8.531 19 -6.4 7.747 13.383 20 -6.3 3.232 5.718 Writing output ... done.