Examining the promiscuous phosphatase activity of Pseudomonas aeruginosa arylsulfatase: A comparison to analogous phosphatases

Benchmark Reaction Rates, the Stability of Biological Molecules in Water, and the Evolution of Catalytic Power in Enzymes

(2011) Richard Wolfenden   Annual Review of Biochemistry

Biological Phosphoryl-Transfer Reactions: Understanding Mechanism and Catalysis

(2011) Jonathan K. Lassila et al.   Annual Review of Biochemistry

Challenges and Advances in Validating Enzyme Design Proposals: The Case of Kemp Eliminase Catalysis

(2011) Maria P. Frushicheva et al.   BIOCHEMISTRY

Theoretical Comparison ofp-Nitrophenyl Phosphate and Sulfate Hydrolysis in Aqueous Solution: Implications for Enzyme-Catalyzed Sulfuryl Transfer

(2011) Shina Caroline Lynn Kamerlin   JOURNAL OF ORGANIC CHEMISTRY

Kinetics and product distribution of p-nitrophenyl phosphate dianion solvolysis in ternary DMSO/alcohol/water mixtures are compatible with metaphosphate formation

(2011) F. S. Lima et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome

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

Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions

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

Comment on "The Mechanism for Activation of GTP Hydrolysis on the Ribosome"

(2011) A. Liljas et al.   SCIENCE

Enzyme Promiscuity: A Mechanistic and Evolutionary Perspective

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

What makes an enzyme promiscuous?

(2010) Ann Babtie et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization

(2010) S. C. L. Kamerlin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2010) M. P. Frushicheva et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Impact of temperature on the time required for the establishment of primordial biochemistry, and for the evolution of enzymes

(2010) R. B. Stockbridge et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Efficient Catalytic Promiscuity for Chemically Distinct Reactions

(2009) Ann C. Babtie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Computational Study of the Hydrolysis of dGTP Analogues with Halomethylene-Modified Leaving Groups in Solution: Implications for the Mechanism of DNA Polymerases

(2009) Shina C. L. Kamerlin et al.   BIOCHEMISTRY

Toward Accurate Screening in Computer-Aided Enzyme Design†

(2009) Maite Roca et al.   BIOCHEMISTRY

The empirical valence bond as an effective strategy for computer-aided enzyme design

(2009) Alexandra Vardi-Kilshtain et al.   Biotechnology Journal

Phosphate ester analogues as probes for understanding enzyme catalysed phosphoryl transfer

(2009) Abdulfattah Alkherraz et al.   FARADAY DISCUSSIONS

Recent developments of the quantum chemical cluster approach for modeling enzyme reactions

(2009) Per E. M. Siegbahn et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Mapping catalytic promiscuity in the alkaline phosphatase superfamily

(2009) Stefanie Jonas et al.   PURE AND APPLIED CHEMISTRY

On the Interpretation of the Observed Linear Free Energy Relationship in Phosphate Hydrolysis: A Thorough Computational Study of Phosphate Diester Hydrolysis in Solution†

(2008) Edina Rosta et al.   BIOCHEMISTRY

Associative Versus Dissociative Mechanisms of Phosphate Monoester Hydrolysis: On the Interpretation of Activation Entropies

(2008) Shina C. L. Kamerlin et al.   CHEMPHYSCHEM

Dineopentyl Phosphate Hydrolysis: Evidence for Stepwise Water Attack

(2008) Shina C. L. Kamerlin et al.   JOURNAL OF ORGANIC CHEMISTRY

Progress inAb InitioQM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies†

(2008) Shina C. L. Kamerlin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Efficient Catalytic Promiscuity in an Enzyme Superfamily: An Arylsulfatase Shows a Rate Acceleration of 1013for Phosphate Monoester Hydrolysis

(2008) Luis F. Olguin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS