NMR-guided directed evolution

Computational design of enzymes for biotechnological applications

(2021) Joan Planas-Iglesias et al.   BIOTECHNOLOGY ADVANCES

Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics

(2021) Carlos G. Acevedo-Rocha et al.   Nature Communications

Engineering new catalytic activities in enzymes

(2020) Kai Chen et al.   Nature Catalysis

Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico

(2020) Aron Broom et al.   Nature Communications

The challenge of predicting distal active site mutations in computational enzyme design

(2020) Sílvia Osuna   Wiley Interdisciplinary Reviews-Computational Molecular Science

How directed evolution reshapes the energy landscape in an enzyme to boost catalysis

(2020) Renee Otten et al.   SCIENCE

Machine learning-assisted directed protein evolution with combinatorial libraries

(2019) Zachary Wu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Minimalist de Novo Design of Protein Catalysts

(2019) Liam R. Marshall et al.   ACS Catalysis

Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and QM/MM Theoretical Investigations into Preferred Fe–NO Ligand Orientations in Myoglobin Distal Pockets

(2018) Bing Wang et al.   BIOCHEMISTRY

The evolution of multiple active site configurations in a designed enzyme

(2018) Nan-Sook Hong et al.   Nature Communications

A redox-mediated Kemp eliminase

(2017) Aitao Li et al.   Nature Communications

De novo active sites for resurrected Precambrian enzymes

(2017) Valeria A. Risso et al.   Nature Communications

Computational Optimization of Electric Fields for Improving Catalysis of a Designed Kemp Eliminase

(2017) Valerie Vaissier et al.   ACS Catalysis

The role of protein dynamics in the evolution of new enzyme function

(2016) Eleanor Campbell et al.   Nature Chemical Biology

Improving and repurposing biocatalysts via directed evolution

(2015) Carl A Denard et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Highly Diastereoselective and Enantioselective Olefin Cyclopropanation Using Engineered Myoglobin-Based Catalysts

(2014) Melanie Bordeaux et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Single Mutation in a Regulatory Protein Produces Evolvable Allosterically Regulated Catalyst of Nonnatural Reaction

(2013) Olesia V. Moroz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure- and sequence-analysis inspired engineering of proteins for enhanced thermostability

(2013) Hein J Wijma et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Precision is essential for efficient catalysis in an evolved Kemp eliminase

(2013) Rebecca Blomberg et al.   NATURE

Engineering the third wave of biocatalysis

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

Engineering a model protein cavity to catalyze the Kemp elimination

(2012) M. Merski et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

COMPUTER-AIDED PROTEIN DIRECTED EVOLUTION: A REVIEW OF WEB SERVERS, DATABASES AND OTHER COMPUTATIONAL TOOLS FOR PROTEIN ENGINEERING

(2012) Rajni Verma et al.   Computational and Structural Biotechnology Journal

Design of a switchable eliminase

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

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Laboratory Evolution of Stereoselective Enzymes: A Prolific Source of Catalysts for Asymmetric Reactions

(2010) Manfred T. Reetz   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The Distal Pocket Histidine Residue in Horse Heart Myoglobin Directs theO-Binding Mode of Nitrite to the Heme Iron

(2009) Jun Yi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE