Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein

Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases

(2016) Elena Sugrue et al.   BIOCHEMISTRY

Evolution of Enzyme Superfamilies: Comprehensive Exploration of Sequence–Function Relationships

(2016) F. Baier et al.   BIOCHEMISTRY

Large-Scale Analysis Exploring Evolution of Catalytic Machineries and Mechanisms in Enzyme Superfamilies

(2016) Nicholas Furnham et al.   JOURNAL OF MOLECULAR BIOLOGY

An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme

(2016) Mary Ortmayer et al.   NATURE

The coming of age of de novo protein design

(2016) Po-Ssu Huang et al.   NATURE

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

(2016) Eleanor Campbell et al.   Nature Chemical Biology

Installing hydrolytic activity into a completely de novo protein framework

(2016) Antony J. Burton et al.   Nature Chemistry

Experimental Strategies for Functional Annotation and Metabolism Discovery: Targeted Screening of Solute Binding Proteins and Unbiased Panning of Metabolomes

(2015) Matthew W. Vetting et al.   BIOCHEMISTRY

The Moderately Efficient Enzyme: Futile Encounters and Enzyme Floppiness

(2015) Arren Bar-Even et al.   BIOCHEMISTRY

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

New Tricks for Old Proteins: Single Mutations in a Nonenzymatic Protein Give Rise to Various Enzymatic Activities

(2015) Yurii S. Moroz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A high-throughput screen for ligand binding reveals the specificities of three amino acid chemoreceptors fromPseudomonas syringaepv.actinidiae

(2015) James L. O. McKellar et al.   MOLECULAR MICROBIOLOGY

Reverse evolution leads to genotypic incompatibility despite functional and active site convergence

(2015) Miriam Kaltenbach et al.   eLife

Computational enzyme design: Transitioning from catalytic proteins to enzymes

(2014) Wai Shun Mak et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Catalytic efficiency of designed catalytic proteins

(2014) Ivan V Korendovych et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Conformational dynamics in substrate-binding domains influences transport in the ABC importer GlnPQ

(2014) Giorgos Gouridis et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Precision is essential for efficient catalysis in an evolved Kemp eliminase

(2013) Rebecca Blomberg et al.   NATURE

Evolutionary biochemistry: revealing the historical and physical causes of protein properties

(2013) Michael J. Harms et al.   NATURE REVIEWS GENETICS

Molecular dynamics simulations reveal that apo-HisJ can sample a closed conformation

(2013) B. C. H. Chu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis

(2012) Micheline N. Ngaki et al.   NATURE

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

Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme

(2012) Nobuhiko Tokuriki et al.   Nature Communications

iMOSFLM: a new graphical interface for diffraction-image processing withMOSFLM

(2011) T. Geoff G. Battye et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Conformational dynamics of L-lysine, L-arginine, L-ornithine binding protein reveals ligand-dependent plasticity

(2011) Daniel-Adriano Silva et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

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

Enzyme Promiscuity: A Mechanistic and Evolutionary Perspective

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

Ligand-Free Open−Closed Transitions of Periplasmic Binding Proteins: The Case of Glutamine-Binding Protein

(2010) Guillermo A. Bermejo et al.   BIOCHEMISTRY

A structural classification of substrate-binding proteins

(2010) Ronnie P.-A. Berntsson et al.   FEBS LETTERS

New Algorithms and Methods to Estimate Maximum-Likelihood Phylogenies: Assessing the Performance of PhyML 3.0

(2010) Stéphane Guindon et al.   SYSTEMATIC BIOLOGY

Enzymatic assembly of DNA molecules up to several hundred kilobases

(2009) Daniel G Gibson et al.   NATURE METHODS

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

A One Pot, One Step, Precision Cloning Method with High Throughput Capability

(2008) Carola Engler et al.   PLoS One