• Developing computational methods for cancer immunology and immunotherapy
  • Protein design and redesign of functional proteins
  • Developing computational methods for predicting, modeling and analyzing 3D structures of proteins and protein complexes


  • 1.L Li#, S Chen#, Z Miao#, Y Liu, X Liu, ZX Xiao and Y Cao*. AbRSA: a Robust Tool for Antibody Numbering. Protein Science (, 2019
  • 2.Y Liu#, M Grimm#, W Dai, M Hou, ZX Xiao, Y Cao*. CB-Dock: a web server for cavity detection-guided protein-ligand blind docking. Acta Pharmacologica Sinica (accepted), 2019
  • 3.Y Cao, W Dai, Z Miao. Evaluation of Protein-Ligand Docking by Cyscore. Methods in molecular biology 1762, 233-243, 2018
  • 4.B Kong#, Y Cao#, D Wu, L An, F Ran, Y Lin, C Ye, H Wang*, H Hang*. Affinity maturation of an antibody for the UV-induced DNA lesions 6,4 pyrimidine-pyrimidones. Applied Microbiology and Biotechnology. 102(15) 6409-6424, 2018
  • 5.C Li#, Z Wang#, Y Cao#, L Wang, J Ji, Z Chen, T Deng, T Jiang*, G Cheng*, F Qin*. Screening for Novel Small-Molecule Inhibitors Targeting the Assembly of Influenza Virus Polymerase Complex by a Bimolecular Luminescence Complementation-Based Reporter System. J Virol. 2017, 91(5): e02282-16.
  • 6.Z Miao* and Y Cao*. Quantifying side-chain conformational variations in protein structure. Scientific Reports. 2016, 6: 37024
  • 7.J Liu#, Z Miao#, L Li, ZX Xiao*, Yang Cao*. DRSP: a Structural Database for Single Residue Substitutions in PDB. Progress in Biochemistry and Biophysics. 2016, 43(8):810-816
  • 8.J Guo#, Y Cao#, K Qin, X Zhao, D Wang, Z Li, L Xin,Y Shu, J Zhou*. Limited effect of recombinant human mannose-binding lectin on the infection of novel influenza A (H7N9) virus in vitro. Biochem Biophys Res Commun. 2015, 458(1):77-81
  • 9.Y Cao*, L Li., Improved protein-ligand binding affinity prediction by using a curvature dependent surface area model, Bioinformatics, 30(12):1674-1680, 2014
  • 10.L Huang#, Y Cao#, J Zhou, K Qin, W Zhu, Y Zhu, L Yang, D Wang, H Wei*, Y Shu*., A conformational restriction in influenza A virus neuraminidase binding site by R152 caused the combinational effect of I222T with H274Y on oseltamivir resistance. Antimicrob Agents Chemother. 58(3), 1639-1645, 2014
  • 11.Z Miao, Y Cao, T Jiang. Modeling of protein side-chain conformations with RASP, Protein Structure Prediction, 3rd Edition (Methods in Molecular Biology), Springer, 2014
  • 12.AM Larson, H Wang, Y Cao, T Jiang, J Chen, AM Klibanov*., Conjugating drug candidates to polymeric chains does not necessarily enhance anti-influenza activity., J Pharm Sci., 101(10), 3896-905, 2012
  • 13.Y Cao, L Song, Z Miao, Y Hu, L Tian, T Jiang*., Improved side-chain modeling by coupling clash-detection guided iterative search with rotamer relaxation, Bioinformatics, 27(6), 785-790,2011
  • 14.Y Cao, X Koh, L Dong, X Du, A Wu, X Ding, H Deng, Y Shu*, J Chen*, T Jiang*., Rapid Estimation of Binding Activity of Influenza Virus Hemagglutinin to Human and Avian Receptors, PLoS One, 6(4):e18664, 2011
  • 15.Z Miao Z, Y Cao, T Jiang., RASP: rapid modeling of protein side chain conformations, Bioinformatics, 27(22), 3117-22, 2011