comparison of different ranking methods in protein-ligand binding site prediction比较不同的排名方法protein-ligand结合位点预测.pdf

Int. J. Mol. Sci. 2012, 13, 8752-8761; doi:10.3390/ijm OPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Article Comparison of Different Ranking Methods in Protein-Ligand Binding Site Prediction Jun Gao 1,2,†, Qi Liu 1,†, Hong Kang 1, Zhiwei Cao 1,* and Ruixin Zhu 1,3,4,* 1 College of Life Science and Biotechnology, Tongji University, Shanghai 200092, China; E-Mails: jungao@ (J.G.); qiliu@ (Q.L.); kangh67@ (H.K.) 2 College of Information Engineering, Shanghai Maritime University, Shanghai 201306, China 3 Institute for Advanced Study of Translational Medicine, Tongji University, Shanghai 200092, China 4 School of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, China † These authors contributed equally to this work. * Authors to whom correspondence should be addressed; E-Mails: zwcao@ (Z.C.); rxzhu@ (R.Z.); Tel./Fax: +86-21(Z.C.), (R.Z.). Received: 14 May 2012; in revised form: 19 June 2012 / Accepted: 2 July 2012 / Published: 16 July 2012 Abstract: In recent years, although many ligand-binding site prediction methods have been developed, there has still been a great demand to improve the prediction accuracy and compare different prediction algorithms to evaluate their performances. In this work, in order to improve the performance of the protein-ligand binding site prediction method presented