################################################################### # 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: 1273230466 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 -7.7 2.668 7.904 3 -7.6 3.584 8.578 4 -7.5 2.792 6.858 5 -7.5 3.449 9.115 6 -7.4 3.276 8.670 7 -7.3 3.063 6.759 8 -7.3 2.665 8.944 9 -7.2 2.941 6.964 10 -7.2 2.997 7.575 11 -7.2 3.132 6.808 12 -7.1 3.873 8.964 13 -7.1 3.214 8.951 14 -7.1 3.128 8.746 15 -7.0 3.455 8.584 16 -7.0 3.777 9.139 17 -7.0 3.731 8.539 18 -7.0 2.930 6.675 19 -6.9 3.780 9.202 20 -6.9 4.068 9.158 Writing output ... done.