################################################################### # 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: 1816883121 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 2 -8.0 4.481 15.522 3 -7.9 4.074 15.135 4 -7.8 4.294 15.110 5 -7.8 4.434 10.575 6 -7.7 2.267 3.615 7 -7.7 2.086 3.252 8 -7.6 4.388 15.330 9 -7.5 4.342 15.340 10 -7.5 2.889 4.754 11 -7.4 4.364 9.018 12 -7.4 3.026 6.694 13 -7.3 4.178 15.029 14 -7.3 2.786 6.947 15 -7.2 3.894 8.934 16 -7.0 14.049 19.948 17 -7.0 5.480 10.024 18 -7.0 5.172 9.876 Writing output ... done.