Alan C. Cheng, PhD.

Adjunct Faculty, Brandeis University
Research Scientist, Amgen Inc.



I teach in the Brandeis Graduate Professional Studies Bioinformatics M.S. degree program.  I am also a scientist at the Amgen San Francisco research labs, where I work with chemists and biologists on the discovery of new medicines for oncology and neuroscience diseases. My scientific interests are in computer-aided drug design and biological sequence-structure relationships.

More about me:
Selected publications  
( Full list here) :
    Structure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer's Disease.   Huang H et al.   (2012)   J Med Chem.

    Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index   Cheng AC et al.   (2010)   J Med Chem.

    Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: Alleviating hERG interactions through structure based design.   Patel SD et al.   (2009)   Bioorg Med Chem Lett.

    Predicting selectivity and druggability in drug discovery.   Cheng AC.   (2008)   Annual Reports Comp Chem.

    Structure-based maximal affinity model predicts small-molecule druggability.   Cheng AC et al.   (2007)  Nature Biotechnology.

    Structure-based identification of small molecule binding sites using a free energy model.   Coleman RG et al.  (2006)  J Chem Inf Model.

    Optimal charges in lead optimization: a structure-based neuraminidase case study.   Armstrong KA et al.  (2006)  J Med Chem.

    An intuitive approach to measuring protein surface curvature.   Coleman RG et al.  (2005)  Proteins.

    Ab-initio interaction energies of amino acid side-chain hydrogen bond interactions with nucleic acid bases. Cheng AC et al.  (2004)  J Am Chem Soc.

    Recognition of nucleic acid bases and base-pairs by hydrogen bonding to amino acid side-chains.   Cheng AC et al. (2003)   J Mol Biol.