################################################################### # 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: 491773455 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 2 -6.2 19.206 24.306 3 -6.0 20.156 25.354 4 -5.9 22.053 26.213 5 -5.9 20.043 25.315 6 -5.9 19.425 24.580 7 -5.9 23.806 27.944 8 -5.8 3.546 9.502 9 -5.8 20.195 25.677 10 -5.8 20.002 24.806 11 -5.8 31.559 35.470 12 -5.8 20.900 26.622 13 -5.8 19.752 25.120 14 -5.7 31.663 36.371 15 -5.7 4.565 12.357 16 -5.6 16.039 20.718 17 -5.6 23.816 27.271 18 -5.6 21.786 27.456 19 -5.5 22.441 26.166 20 -5.5 20.190 26.026 Writing output ... done.