################################################################### # 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: 285389440 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 2 -8.8 2.312 4.908 3 -8.7 2.807 6.266 4 -8.6 3.037 7.510 5 -8.6 3.710 8.095 6 -8.5 1.526 3.098 7 -8.3 5.171 15.577 8 -8.3 2.523 6.643 9 -8.2 2.853 4.800 10 -8.1 2.977 12.668 11 -8.1 3.569 7.368 12 -7.9 3.485 7.009 13 -7.9 3.671 9.558 14 -7.8 3.400 7.291 15 -7.8 2.723 12.199 16 -7.8 2.702 13.675 17 -7.6 2.772 12.484 18 -7.5 2.356 3.235 Writing output ... done.