Amino acid interactions that facilitate enzyme catalysis

How the Local Environment of Functional Sites Regulates Protein Function

(2020) Karine Mazmanian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity

(2018) Ramya Parasuram et al.   BIOCHEMISTRY

A Biophysical Perspective on Enzyme Catalysis

(2018) Pratul K. Agarwal   BIOCHEMISTRY

Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase

(2016) Richard Obexer et al.   Nature Chemistry

Kinetic Characterization of 100 Glycoside Hydrolase Mutants Enables the Discovery of Structural Features Correlated with Kinetic Constants

(2016) Dylan Alexander Carlin et al.   PLoS One

Prediction of distal residue participation in enzyme catalysis

(2015) Heather R. Brodkin et al.   PROTEIN SCIENCE

Evolution of a designed retro-aldolase leads to complete active site remodeling

(2013) Lars Giger et al.   Nature Chemical Biology

A Tale of Two Isomerases: Compact versus Extended Active Sites in Ketosteroid Isomerase and Phosphoglucose Isomerase

(2011) Srinivas Somarowthu et al.   BIOCHEMISTRY

High-performance prediction of functional residues in proteins with machine learning and computed input features

(2011) Srinivas Somarowthu et al.   BIOPOLYMERS

Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: Mechanistic implications

(2010) Andrew Dalby et al.   PROTEIN SCIENCE

Partial Order Optimum Likelihood (POOL): Maximum Likelihood Prediction of Protein Active Site Residues Using 3D Structure and Sequence Properties

(2009) Wenxu Tong et al.   PLoS Computational Biology

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