Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.   Cee VJ, Cheng AC, Romero K, Bellon S, Mohr C, Whittington DA, Bak A, Bready J, Caenepeel S, Coxon A, Deak HL, Fretland J, Gu Y, Hodous BL, Huang X, Kim JL, Lin J, Long AM, Nguyen H, Olivieri PR, Patel VF, Wang L, Zhou Y, Hughes P, Geuns-Meyer S.   (2009)   Bioorg Med Chem Lett. 19, 424-427

Predicting selectivity and druggability in drug discovery.   Cheng AC.   (2008)   Annual Reports Comp Chem. 4, 23-37

Structure-based maximal affinity model predicts small-molecule druggability.   Cheng AC, Coleman RG, Smyth KT, Cao Q, Soulard P, Caffrey DR, Salzberg AC, Huang ES.   (2007)  Nature Biotechnology. 25, 71-75

Structure-based identification of small molecule binding sites using a free energy model.   Coleman RG, Salzberg AC, and Cheng AC.  (2006)  J Chem Inf Model. 46, 2631-2637

Optimal charges in lead optimization: a structure-based neuraminidase case study.   Armstrong KA, Tidor B, and Cheng AC.  (2006)  J Med Chem. 49, 2470-2477

Ab-initio interaction energies of amino acid side-chain hydrogen bond interactions with nucleic acid bases. Cheng AC and Frankel AD.  (2004)  J Am Chem Soc. 126, 434-435

Recognition of nucleic acid bases and base-pairs by hydrogen bonding to amino acid side-chains.   Cheng AC, Chen WW, Fuhrmann CN, and Frankel AD. (2003)   J Mol Biol. 327, 781-796