################################################################### # 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: -698397636 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 2 -7.6 5.169 11.562 3 -7.3 5.431 9.782 4 -7.3 29.859 34.207 5 -7.1 4.223 10.084 6 -7.0 27.118 30.036 7 -6.9 26.313 30.989 8 -6.9 25.456 28.978 9 -6.9 30.000 34.442 10 -6.9 28.751 32.040 11 -6.9 3.353 10.537 12 -6.9 24.913 31.673 13 -6.8 30.220 33.771 14 -6.8 21.550 30.224 15 -6.8 33.182 38.918 16 -6.8 26.913 30.506 17 -6.8 4.929 9.198 18 -6.7 25.229 29.323 19 -6.7 20.480 27.575 20 -6.7 5.929 10.329 Writing output ... done.