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. (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.