Result averages of retrospective virtual screening.
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a)pockets numbered according to size based on PocketPicker (14) predictions.
b)the pocket volume was manually reduced.
ROC-AUC: Receiver-operator characteristic area under the curve; BEDROC: Boltzman-enhanced ROC (alpha = 20); ACE: angiotensin converting enzyme; COX-2: cyclooxygenase 2; DHFR: dihydrofolate reductase; fXa: factor Xa; PPARgamma: peroxisome proliferator activated receptor gamma; UPA: urokinase-type plasminogen activator; Eph: EphA4 receptor tyrosine kinase; ER-alpha: estrogen receptor alpha; ER-beta: estrogen receptor beta; FAK: focal adhesion kinase; HIV-RT: immuno-deficiency virus reverse transcriptase; Hsp90: heat-shock protein 90. See also Tables S2, S3, S4, S5.
创建时间：
2011-03-31
