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-based druggability assessment of the mammalian structural proteome with inclusion of light protein flexibility.   (2014)   PLoS Comput Biol.

    Structure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer's Disease.   (2012)   J Med Chem.

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

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

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

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

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

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

    An intuitive approach to measuring protein surface curvature.   (2005)  Proteins.

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

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