################################################################### # 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: 94083982 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 2 -6.2 3.075 10.096 3 -6.2 4.802 12.092 4 -6.2 2.110 4.163 5 -6.1 8.266 16.659 6 -6.1 2.539 7.521 7 -6.1 2.381 6.724 8 -6.0 3.230 11.111 9 -6.0 2.434 6.815 10 -6.0 2.519 8.269 11 -6.0 2.544 4.197 12 -5.9 3.062 8.058 13 -5.8 3.231 11.623 14 -5.8 2.567 7.230 15 -5.8 2.543 9.786 16 -5.8 2.629 7.859 17 -5.7 2.760 8.153 18 -5.7 2.668 8.601 19 -5.7 3.056 7.692 20 -5.7 2.693 7.335 Writing output ... done.