N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.
Deak HL, Newcomb JR, Nunes JJ, Boucher C, Cheng AC, DiMauro EF, Epstein LF, Gallant P, Hodous BL, Huang X, Lee JH, Patel VF, Schneider S, Turci SM, Zhu X.
Bioorg Med Chem Lett 18, 1172-1176 (2008)   Link


Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR.
 Dimauro EF, Newcomb J, Nunes JJ, Bemis JE, Boucher C, Buchanan JL, Buckner WH, Cheng A, Faust T, Hsieh F, Huang X, Lee JH, Marshall TL, Martin MW, McGowan DC, Schneider S, Turci SM, White RD, Zhu X.
Bioorg Med Chem Lett 17, 2305-2309 (2007)   Link


Structure of the catalytic domain of human polo-like kinase 1.
 Kothe M, Kohls D, Low S, Coli R, Cheng AC, Jacques SL, Johnson TL, Lewis C, Loh C, Nonomiya J, Sheils AL, Verdries KA, Wynn TA, Kuhn C, Ding YH.
Biochemistry 46, 5960-5971 (2007)   Link


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.
Nature Biotechnology 25, 71-75 (2007)   PDF   Link
    Highlighted in Nature Reviews Drug Discovery— Target Validation: Determining druggability. 6, 187 (2007) Link

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


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


An intuitive approach to measuring protein surface curvature.
Coleman RG, Burr MA, Souvaine DL, and Cheng AC.
Proteins 61, 1068-1074 (2005)   PDF   Link


Transformations and algorithms for least sum of squares hypersphere fitting.
Coleman RG, Burr MA, Souvaine DL, Cheng AC.
Candadian Conf Comp Geom Proc 16, 104-107 (2004)   PDF   PS


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


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.
J Mol Biol 327, 781-796 (2003)   PDF   Link
    Reviewed by Faculty of 1000 and highlighted as a "Must Read" (F1000 Factor 6.0). Link

Structural diversity and isomorphism of hydrogen-bonded base interactions in nucleic acids.
Walberer BJ, Cheng AC, and Frankel AD.
J Mol Biol 327, 767-780 (2003)   PDF   Link


Design of RNA-binding proteins and ligands.
Cheng AC, Calabro V, and Frankel AD.
Curr Opin Struct Biol 11, 478-484 (2001)   PDF   Link