Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase

Toward Accurate Screening in Computer-Aided Enzyme Design†

(2009) Maite Roca et al.   BIOCHEMISTRY

Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series

(2009) Olga Khersonsky et al.   JOURNAL OF MOLECULAR BIOLOGY

On the Energetics of ATP Hydrolysis in Solution

(2009) Shina C. L. Kamerlin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A 21st century revisionist's view at a turning point in enzymology

(2009) Zachary D Nagel et al.   Nature Chemical Biology

An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket

(2009) E. W. Debler et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Effective approach for calculations of absolute stability of proteins using focused dielectric constants

(2009) Spyridon Vicatos et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Computational enzymology: modelling the mechanisms of biological catalysts: Figure 1

(2008) Adrian J. Mulholland   BIOCHEMICAL SOCIETY TRANSACTIONS

Predicting an Improvement of Secondary Catalytic Activity of Promiscuos Isochorismate Pyruvate Lyase by Computational Design

(2008) Sergio Martí et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination

(2008) Anastassia N. Alexandrova et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE