Design of activated serine–containing catalytic triads with atomic-level accuracy

Enzymes for the Homeland Defense: Optimizing Phosphotriesterase for the Hydrolysis of Organophosphate Nerve Agents

(2012) Ping-Chuan Tsai et al.   BIOCHEMISTRY

Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

(2012) Florian Richter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Destruction and Detection of Chemical Warfare Agents

(2011) Kibong Kim et al.   CHEMICAL REVIEWS

Evaluating the Catalytic Contribution from the Oxyanion Hole in Ketosteroid Isomerase

(2011) Jason P. Schwans et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic detoxification

(2011) Frank M. Raushel   NATURE

De Novo Enzyme Design Using Rosetta3

(2011) Florian Richter et al.   PLoS One

Academic cross-fertilization by public screening yields a remarkable class of protein phosphatase methylesterase-1 inhibitors

(2011) D. A. Bachovchin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Restricted sidechain plasticity in the structures of native proteins and complexes

(2011) Sarel J. Fleishman et al.   PROTEIN SCIENCE

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

In search of a catalytic bioscavenger for the prophylaxis of nerve agent toxicity

(2010) Robert C. diTargiani et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Activity-based Proteomics of Enzyme Superfamilies: Serine Hydrolases as a Case Study

(2010) Gabriel M. Simon et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Quantitative reactivity profiling predicts functional cysteines in proteomes

(2010) Eranthie Weerapana et al.   NATURE

Crystal Structure of the Human Monoacylglycerol Lipase, a Key Actor in Endocannabinoid Signaling

(2009) Geoffray Labar et al.   CHEMBIOCHEM

Fixation of the Two Tabun Isomers in Acetylcholinesterase: A QM/MM Study

(2009) Ophélie Kwasnieski et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Identification of selective inhibitors of uncharacterized enzymes by high-throughput screening with fluorescent activity-based probes

(2009) Daniel A Bachovchin et al.   NATURE BIOTECHNOLOGY

Activity-Based Protein Profiling: From Enzyme Chemistry to Proteomic Chemistry

(2008) Benjamin F. Cravatt et al.   Annual Review of Biochemistry

Structural Reorganization and Preorganization in Enzyme Active Sites: Comparisons of Experimental and Theoretically Ideal Active Site Geometries in the Multistep Serine Esterase Reaction Cycle

(2008) Adam J. T. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

Unconventional serine proteases: Variations on the catalytic Ser/His/Asp triad configuration

(2008) Özlem Doğan Ekici et al.   PROTEIN SCIENCE

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE