################################################################### # 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: -1142917082 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 2 -7.9 16.557 27.870 3 -7.9 15.489 21.031 4 -7.7 5.724 11.810 5 -7.6 5.350 14.433 6 -7.6 5.111 16.924 7 -7.5 18.900 24.524 8 -7.5 4.405 7.311 9 -7.3 6.697 11.066 10 -7.3 11.662 19.833 11 -7.3 13.247 25.611 12 -7.3 3.621 14.665 13 -7.3 5.990 16.280 14 -7.3 5.624 16.529 15 -7.3 5.192 16.292 16 -7.2 14.317 21.577 17 -7.2 3.218 6.747 18 -7.1 4.496 9.172 19 -7.0 5.854 17.496 20 -7.0 9.391 14.817 Writing output ... done.