XenoSite Regions

Published online in Bioinformatics in February 2015 Extending P450 Site-of-Metabolism Models with Region-Resolution Data Jed Zaretzki, Michael Browning, Tyler B. Hughes, S. Joshua Swamidass  Motivation: Cytochrome P450s are a family of enzymes responsible for the metabolism of approximately 90% of FDA approved drugs. Medicinal chemists often want to know which atoms of a molecule— its … Continue reading XenoSite Regions

Identifying Cancer Mutations With Parsimony

This study uses  an algorithm first developed in our group for modeling metabolism from ambiguous data. Often we know the region of a molecule that is metabolized, but not the specific atom. A clever trick using the EM algorithm lets us train a neural network, even without knowing the right targets. An analogous problem arises in cancer genomics. We … Continue reading Identifying Cancer Mutations With Parsimony