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1 _______ _______ _________ _ _______
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2 ( ____ \( )\__ __/( ( /|( ___ )
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3 | ( \/| () () | ) ( | \ ( || ( ) |
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4 | (_____ | || || | | | | \ | || (___) |
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5 (_____ )| |(_)| | | | | (\ \) || ___ |
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6 ) || | | | | | | | \ || ( ) |
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7 /\____) || ) ( |___) (___| ) \ || ) ( |
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8 \_______)|/ \|\_______/|/ )_)|/ \|
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9
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10
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11 smina is based off AutoDock Vina. Please cite appropriately.
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12
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13 Weights Terms
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14 -0.035579 gauss(o=0,_w=0.5,_c=8)
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15 -0.005156 gauss(o=3,_w=2,_c=8)
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16 0.840245 repulsion(o=0,_c=8)
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17 -0.035069 hydrophobic(g=0.5,_b=1.5,_c=8)
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18 -0.587439 non_dir_h_bond(g=-0.7,_b=0,_c=8)
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19 1.923 num_tors_div
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20
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21 Using random seed: 1000
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22
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23 0% 10 20 30 40 50 60 70 80 90 100%
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24 |----|----|----|----|----|----|----|----|----|----|
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25 ***************************************************
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26
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27 mode | affinity | dist from best mode
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28 | (kcal/mol) | rmsd l.b.| rmsd u.b.
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29 -----+------------+----------+----------
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30 1 -13.1 0.000 0.000
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31 2 -10.8 3.323 12.330
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32 3 -10.8 2.536 12.516
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33 4 -10.5 1.633 13.600
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34 5 -10.5 3.275 13.575
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