################################################################### # 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: 1074645568 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 2 -7.0 3.209 11.533 3 -6.8 3.069 7.282 4 -6.8 2.301 10.539 5 -6.8 4.820 13.054 6 -6.8 4.696 7.281 7 -6.7 3.154 6.722 8 -6.7 2.866 6.772 9 -6.7 2.643 5.817 10 -6.7 4.328 9.428 11 -6.6 3.238 9.056 12 -6.6 5.943 13.762 13 -6.6 2.425 9.294 14 -6.6 3.073 8.522 15 -6.5 3.740 6.629 16 -6.5 3.340 7.333 17 -6.4 2.845 10.997 18 -6.3 3.791 7.358 19 -6.3 2.751 11.286 20 -6.0 5.384 12.317 Writing output ... done.