Design of Protein Catalysts

Significant Increase of Oxidase Activity through the Genetic Incorporation of a Tyrosine-Histidine Cross-Link in a Myoglobin Model of Heme-Copper Oxidase

(2012) Xiaohong Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalysis by a De Novo Zinc-Mediated Protein Interface: Implications for Natural Enzyme Evolution and Rational Enzyme Engineering

(2012) Bryan S. Der 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

Engineering the third wave of biocatalysis

(2012) U. T. Bornscheuer et al.   NATURE

Optimization of affinity, specificity and function of designed influenza inhibitors using deep sequencing

(2012) Timothy A Whitehead et al.   NATURE BIOTECHNOLOGY

Increased Diels-Alderase activity through backbone remodeling guided by Foldit players

(2012) Christopher B Eiben et al.   NATURE BIOTECHNOLOGY

Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis

(2012) Sagar D Khare et al.   Nature Chemical Biology

Iterative approach to computational enzyme design

(2012) H. K. Privett et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59

(2012) O. Khersonsky et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Comparison of designed and randomly generated catalysts for simple chemical reactions

(2012) Yakov Kipnis et al.   PROTEIN SCIENCE

Robust design and optimization of retroaldol enzymes

(2012) Eric A. Althoff et al.   PROTEIN SCIENCE

Biotinylated Rh(III) Complexes in Engineered Streptavidin for Accelerated Asymmetric C-H Activation

(2012) T. K. Hyster et al.   SCIENCE

Synthetic Genetic Polymers Capable of Heredity and Evolution

(2012) V. B. Pinheiro et al.   SCIENCE

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

(2011) Maria P. Frushicheva et al.   BIOCHEMISTRY

An artificial metalloenzyme for olefin metathesis

(2011) Clemens Mayer et al.   CHEMICAL COMMUNICATIONS

Novel proteins: from fold to function

(2011) Betsy A Smith et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Recent advances in computational protein design

(2011) Robert J Pantazes et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Optimization of the In-Silico-Designed Kemp Eliminase KE70 by Computational Design and Directed Evolution

(2011) Olga Khersonsky et al.   JOURNAL OF MOLECULAR BIOLOGY

Structural Analyses of Covalent Enzyme–Substrate Analog Complexes Reveal Strengths and Limitations of De Novo Enzyme Design

(2011) Ling Wang et al.   JOURNAL OF MOLECULAR BIOLOGY

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

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

Hydrolytic catalysis and structural stabilization in a designed metalloprotein

(2011) Melissa L. Zastrow et al.   Nature Chemistry

De Novo Designed Proteins from a Library of Artificial Sequences Function in Escherichia Coli and Enable Cell Growth

(2011) Michael A. Fisher et al.   PLoS One

De Novo Enzyme Design Using Rosetta3

(2011) Florian Richter et al.   PLoS One

Design of a switchable eliminase

(2011) I. V. Korendovych et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Adding New Chemistries to the Genetic Code

(2010) Chang C. Liu et al.   Annual Review of Biochemistry

Biocatalysts by evolution

(2010) Christian Jäckel et al.   CURRENT OPINION IN BIOTECHNOLOGY

Design strategies for the creation of artificial metalloenzymes

(2010) Tillmann Heinisch et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Predicting protein structures with a multiplayer online game

(2010) Seth Cooper et al.   NATURE

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

Origins of catalysis by computationally designed retroaldolase enzymes

(2010) J. K. Lassila et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Evaluation and ranking of enzyme designs

(2010) Gert Kiss et al.   PROTEIN SCIENCE

An exciting but challenging road ahead for computational enzyme design

(2010) David Baker   PROTEIN SCIENCE

Dynamic Kinetic Resolution of Biaryl Atropisomers via Peptide-Catalyzed Asymmetric Bromination

(2010) J. L. Gustafson et al.   SCIENCE

Atomic-Level Characterization of the Structural Dynamics of Proteins

(2010) D. E. Shaw et al.   SCIENCE

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

(2010) J. B. Siegel et al.   SCIENCE

Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions

(2009) Orlando Acevedo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Evolution of protein modularity

(2009) Edward N Trifonov et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

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

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

Direct Observation of an Enamine Intermediate in Amine Catalysis

(2009) Xueyong Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Influence of Protein Dynamics on the Success of Computational Enzyme Design

(2009) Jory Z. Ruscio et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rational design of a structural and functional nitric oxide reductase

(2009) Natasha Yeung et al.   NATURE

Design of functional metalloproteins

(2009) Yi Lu et al.   NATURE

An artificial di-iron oxo-protein with phenol oxidase activity

(2009) Marina Faiella et al.   Nature Chemical Biology

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

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

Directed evolution drives the next generation of biocatalysts

(2009) Nicholas J Turner   Nature Chemical Biology

Designing artificial enzymes by intuition and computation

(2009) Vikas Nanda et al.   Nature Chemistry

Exploring protein fitness landscapes by directed evolution

(2009) Philip A. Romero et al.   NATURE REVIEWS MOLECULAR CELL 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

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

Automated scaffold selection for enzyme design

(2009) Christoph Malisi et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Protein Dynamism and Evolvability

(2009) N. Tokuriki et al.   SCIENCE

A Rationally Designed Aldolase Foldamer

(2008) Manuel M. Müller et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Protein Design by Directed Evolution

(2008) Christian Jäckel et al.   Annual Review of Biophysics

Quantum Mechanical Design of Enzyme Active Sites

(2008) Xiyun Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

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

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE