My research focuses on the study of proteins and the molecules they interact with. Our goal is to develop efficient and correct algorithms capable of providing biologists and chemists informational leverage in solving their problems. In most cases, we deal with noisy experimental data sources and are forced to reason under uncertainty. As a result, our algorithms tend to draw from machine learning, machine vision, and combinatorial optimization. Research themes include: Protein Structure Determination (x-ray crystallography, cryo electron microscopy), Modification of Protein Structure and Function (modeling of protein mutations), Structure Analysis (structure-based drug design), Ligand Structure (retrosynthetic chemical synthesis planning), and the Relationship between Nucleotide Sequence and Protein Structure. Our research is performed in close collaboration with biologists and chemists.