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Table 2 Pockets and descriptors calculation for Sirtuin1 model

From: In-silico screening of Schistosoma mansoni Sirtuin1 inhibitors for prioritization of drug candidates

Name Volume [Å]3 Surface [Å]2 Lipo surface [Å]2 Depth [Å] Simple score
P0 2117.23 2817.48 1667.61 27.66 0.6
P1 665.35 852.27 558.99 18.26 0.44
P2 605.27 765.08 445.91 16.5 0.33
P3 482.42 960.84 633.42 12.77 0.32
P4 442.11 793.97 462.03 16.59 0.24
P5 281 618.08 400.35 13.89 0.15
P6 241.21 180.08 175.7 18.94 0
P7 213.87 330.72 200.03 8.92 0.04
P8 196.15 322.3 206.77 10.56 0
P9 186.27 436.36 274.88 10.81 0
P10 183.57 233.86 187.31 10.71 0
P11 167.65 409.83 251.77 9.69 0.02
P12 144.29 285.9 169.88 7.47 0
P13 138 416.77 291.98 9.49 0
P14 135.17 336.34 263.55 9.61 0
P15 130.3 359.5 268.5 8.44 0
P16 122.72 361.74 153.14 6.71 0
P17 115.41 179.24 149.15 10.5 0
P18 112.84 247.52 203.21 9.15 0.05
P19 112.07 299.23 219.08 7.94 0
P20 111.81 343.81 194.84 10.21 0
P21 105.14 200.69 145.01 6.16 0
P22 103.34 112.15 76.41 11.79 0