################################################################### # 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: 1363081931 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 2 -8.5 4.716 7.035 3 -8.1 2.227 5.047 4 -7.9 4.246 10.162 5 -7.9 3.434 7.464 6 -7.8 4.345 8.204 7 -7.8 3.687 8.149 8 -7.8 4.613 7.486 9 -7.8 4.917 9.277 10 -7.8 4.810 8.853 11 -7.8 4.836 9.417 12 -7.8 4.506 6.240 13 -7.7 4.687 7.828 14 -7.7 4.509 9.361 15 -7.7 3.934 10.252 16 -7.6 4.510 8.788 17 -7.6 4.323 8.599 18 -7.5 4.434 7.678 19 -7.3 2.772 5.175 20 -7.3 4.690 8.351 Writing output ... done.