Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis

Catalytic detoxification

(2011) Frank M. Raushel   NATURE

Directed evolution of hydrolases for prevention of G-type nerve agent intoxication

(2011) Rinkoo D Gupta et al.   Nature Chemical Biology

Enzyme Promiscuity: A Mechanistic and Evolutionary Perspective

(2010) Olga Khersonsky and Dan S. Tawfik   Annual Review of Biochemistry

Stereoselective Hydrolysis of Organophosphate Nerve Agents by the Bacterial Phosphotriesterase

(2010) Ping-Chuan Tsai et al.   BIOCHEMISTRY

Switching Catalysis from Hydrolysis to Perhydrolysis inPseudomonas fluorescensEsterase,

(2010) De Lu (Tyler) Yin et al.   BIOCHEMISTRY

Stereo-specific synthesis of analogs of nerve agents and their utilization for selection and characterization of paraoxonase (PON1) catalytic scavengers

(2010) Y. Ashani et al.   CHEMICO-BIOLOGICAL INTERACTIONS

An exciting but challenging road ahead for computational enzyme design

(2010) David Baker   PROTEIN SCIENCE

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

(2010) J. B. Siegel et al.   SCIENCE

Converting an Esterase into an Epoxide Hydrolase

(2009) Helge Jochens et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Morphing Activity between Structurally Similar Enzymes: From Heme-Free Bromoperoxidase to Lipase

(2009) Bo Chen et al.   BIOCHEMISTRY

Enzyme (re)design: lessons from natural evolution and computation

(2009) John A Gerlt et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Alteration of enzyme specificity by computational loop remodeling and design

(2009) P. M. Murphy et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

RosettaLigand Docking with Full Ligand and Receptor Flexibility

(2008) Ian W. Davis et al.   JOURNAL OF MOLECULAR BIOLOGY

Gas-Phase Mechanisms of Degradation of Hazardous Organophosphorus Compounds: Do They Follow a Common Pattern of Alkaline Hydrolysis Reaction As in Phosphotriesterase?

(2008) Edyta Dyguda-Kazimierowicz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE