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["ASPDock: Protein-Protein Docking Algorithm Using Atomic Solvation Parameters Model\n\nLin Li, Dachuan Guo, Yangyu Huang, Shiyong Liu*, Yi Xiao*\n"]
["Table S1. Docking performance of different program*"]
["PDB","GEODock",null,null,"ASPDock",null,null,"FTDock",null,null,"Zdock"]
[null,"1st ranka","1st hit RMSDb",null,"1st ranka","1st hit RMSDb",null,"1st ranka","1st hit RMSDb",null,"1st ranka","1st hit RMSDb"]
["enzyme-inhibitor"]
["1acb",1580,9.78,null,168,7.99,null,511,9.6,null,282,9.49]
["1avx","--","--",null,192,9.73,null,447,9.13,null,1,9.43]
["1ay7",612,7.93,null,72,9.58,null,361,8.42,null,1427,9.3]
["1bvn",107,8.81,null,60,6.96,null,782,9.86,null,1,3.9]
["1cgi",19,7.89,null,1,9.63,null,493,9.25,null,16,10]
["1d6r",1457,8.59,null,67,8.29,null,"--","--",null,"--","--"]
["1dfj","--","--",null,69,9.91,null,"--","--",null,1,4.93]
["1e6e",1,8.78,null,111,8.55,null,79,4.62,null,18,3.07]
["1eaw","--","--",null,88,9.56,null,103,4.95,null,167,3.57]
["1ewy",42,8,null,12,6.5,null,32,6.15,null,3,6.67]
["1ezu","--","--",null,"--","--",null,1494,5,null,425,8.31]
["1f34",267,8.9,null,300,6.71,null,"--","--",null,65,6.4]
["1fq1","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1hia",1,9.52,null,1,7.89,null,411,8.61,null,445,9.8]
["1ijk","--","--",null,"--","--",null,"--","--",null,1331,8.59]
["1kkl",348,9.19,null,"--","--",null,344,9.72,null,"--","--"]
["1m10","--","--",null,1717,8.86,null,"--","--",null,"--","--"]
["1mah","--","--",null,1273,7.6,null,1344,9.48,null,1,3.88]
["1n8o",1164,7.59,null,861,3.73,null,"--","--",null,5,4.08]
["1nw9",43,9.28,null,49,7.77,null,49,9.46,null,254,8.76]
["1oph","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1ppe",69,9.83,null,1,2.37,null,4,9.76,null,1,1.83]
["1pxv","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1r0r",1043,9.66,null,32,9.42,null,470,9.78,null,439,4.54]
["1tmq",676,4.41,null,437,3.65,null,"--","--",null,32,3.32]
["1udi",91,7.85,null,234,6.53,null,686,8.63,null,13,3.68]
["1yvb",21,6.93,null,577,7.17,null,787,9.1,null,4,6.68]
["2b42","--","--",null,"--","--",null,"--","--",null,1,1.99]
["2mta",37,8.32,null,98,7.51,null,572,9.19,null,83,9.81]
["2o8v","--","--",null,"--","--",null,"--","--",null,13,9.27]
["2pcc","--","--",null,"--","--",null,1967,9.68,null,85,9.19]
["2sic","--","--",null,1151,5.98,null,470,4.87,null,9,9.58]
["2sni",243,9.52,null,80,9.95,null,365,9.28,null,295,8.67]
["2uuy","--","--",null,169,9.9,null,869,7.78,null,"--","--"]
["7cei","--","--",null,634,7.07,null,319,5.82,null,1,7.69]
[]
["antibody-antigen"]
["1ahw","--","--",null,1924,4.29,null,"--","--",null,849,9.61]
["1bgx","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1bj1","--","--",null,"--","--",null,"--","--",null,1,5.7]
["1bvk",1043,7.58,null,909,9.25,null,135,9.72,null,202,7.56]
["1dqj","--","--",null,"--","--",null,175,6.74,null,58,9.79]
["1e4k","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1e6j","--","--",null,"--","--",null,"--","--",null,15,5.66]
["1fsk","--","--",null,"--","--",null,926,3.23,null,3,1.67]
["1i9r","--","--",null,"--","--",null,"--","--",null,26,9.89]
["1iqd",947,4.53,null,"--","--",null,"--","--",null,1,8.71]
["1jps",604,8.96,null,1623,5.29,null,"--","--",null,"--","--"]
["1k4c","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1kxq",842,8.58,null,30,9.85,null,1697,9.42,null,22,1.2]
["1mlc","--","--",null,"--","--",null,"--","--",null,469,3.11]
["1nca","--","--",null,808,0.51,null,"--","--",null,538,2.65]
["1nsn",1692,3.6,null,904,5.24,null,489,8.37,null,"--","--"]
["1qfw","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1vfb","--","--",null,602,6.56,null,1449,8.51,null,38,8.92]
["1wej","--","--",null,"--","--",null,793,9.44,null,201,2.52]
["2fd6","--","--",null,"--","--",null,"--","--",null,40,9.23]
["2hmi","--","--",null,"--","--",null,"--","--",null,"--","--"]
["2i25","--","--",null,"--","--",null,104,7.7,null,6,4.63]
["2jel",1501,8.62,null,"--","--",null,1781,8.63,null,37,7.17]
["2vis","--","--",null,"--","--",null,"--","--",null,"--","--"]
[]
["other"]
["1a2k","--","--",null,749,9.88,null,"--","--",null,1282,9.6]
["1ak4","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1akj",78,7.04,null,158,10,null,432,6.84,null,"--","--"]
["1atn","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1azs","--","--",null,"--","--",null,"--","--",null,5,8.04]
["1b6c",555,7.2,null,397,9.63,null,335,9.29,null,1,5.12]
["1bkd","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1buh",52,7.06,null,"--","--",null,377,6.67,null,12,9.19]
["1de4","--","--",null,"--","--",null,"--","--",null,23,7.18]
["1e96",208,9.94,null,1605,5.61,null,796,9.4,null,1269,9.47]
["1eer","--","--",null,170,7.54,null,"--","--",null,"--","--"]
["1efn","--","--",null,873,6.98,null,523,9.54,null,1553,8.81]
["1f51",190,7.61,null,1017,8.81,null,93,6.07,null,223,9.78]
["1fak","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1fc2","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1fqj",1414,7.49,null,1100,8.92,null,"--","--",null,"--","--"]
["1gcq",697,9.89,null,14,9.43,null,75,9.36,null,"--","--"]
["1ghq","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1gla","--","--",null,"--","--",null,85,7.16,null,"--","--"]
["1gp2","--","--",null,"--","--",null,"--","--",null,144,8.96]
["1gpw",119,7.77,null,2,3.82,null,51,8.1,null,3,7.57]
["1grn","--","--",null,4,7.14,null,571,7.9,null,184,8.49]
["1h1v","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1he1",20,8.27,null,1,6.02,null,1931,6.77,null,766,6.89]
["1he8","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1i2m","--","--",null,"--","--",null,"--","--",null,164,5.82]
["1i4d","--","--",null,255,9.49,null,"--","--",null,"--","--"]
["1ib1","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1ibr","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1ira","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1j2j",61,5.57,null,69,9.86,null,403,9.2,null,1,9.07]
["1jmo","--","--",null,202,5.81,null,"--","--",null,"--","--"]
["1k5d","--","--",null,"--","--",null,"--","--",null,1,9.49]
["1k74",67,7.66,null,14,5.4,null,935,6.97,null,2,2.86]
["1kac","--","--",null,1496,5.4,null,286,7.64,null,804,9.28]
["1klu","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1ktz","--","--",null,"--","--",null,155,6.26,null,"--","--"]
["1kxp",41,5.87,null,14,6.97,null,"--","--",null,1,7.01]
["1ml0","--","--",null,329,4.7,null,1306,9.89,null,1,5.19]
["1n2c","--","--",null,"--","--",null,"--","--",null,213,7.18]
["1qa9","--","--",null,"--","--",null,1505,8.86,null,"--","--"]
["1r8s","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1rlb",190,9.66,null,"--","--",null,"--","--",null,38,7.92]
["1s1q",260,2.69,null,76,2.55,null,"--","--",null,665,1.78]
["1sbb","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1t6b","--","--",null,"--","--",null,"--","--",null,133,7.65]
["1wq1",245,9.42,null,33,9.88,null,"--","--",null,16,7.8]
["1xd3",40,8.28,null,170,9.82,null,214,9.78,null,3,7.16]
["1xqs","--","--",null,"--","--",null,"--","--",null,2,9.96]
["1y64","--","--",null,"--","--",null,"--","--",null,"--","--"]
["1z0k",8,7.58,null,104,6.65,null,55,9.72,null,4,9.6]
["1z5y",84,9.57,null,165,9.73,null,"--","--",null,119,6.72]
["1zhi","--","--",null,"--","--",null,1536,8.6,null,137,8.78]
["2ajf","--","--",null,"--","--",null,"--","--",null,"--","--"]
["2btf","--","--",null,"--","--",null,"--","--",null,187,7.04]
["2c0l","--","--",null,"--","--",null,1341,9.06,null,"--","--"]
["2cfh",1,5.34,null,4,3.44,null,1172,6.63,null,2,5.86]
["2h7v","--","--",null,"--","--",null,"--","--",null,37,8.63]
["2hle",3,7.42,null,98,3.51,null,"--","--",null,38,8.8]
["2hqs",183,8.91,null,"--","--",null,"--","--",null,"--","--"]
["2hrk","--","--",null,"--","--",null,601,7.4,null,11,7.37]
["2nz8",141,8.8,null,44,7.85,null,1008,7.48,null,151,9.39]
["2oob",956,9.57,null,846,8.92,null,1065,7.3,null,"--","--"]
["2ot3","--","--",null,1996,9.89,null,"--","--",null,83,8.16]
["*GeoDock is our ASP docking program using only geometric scoring function; ASPDock uses ASP (Atomic Solvation parameters) scoring function.\naRank of the first hit. A hit indicates a predicted structure with ligand main chain Ca RMSD≤10.0 Å from the native complex structure. “--“ indicates no hit was found in top 2000.\nbLigand main chain Ca RMSD of the first hit. “--“ indicates no hit was found in top 2000.\n"]