Rescue of conformational dynamics in enzyme catalysis by directed evolution

Comprehensive analysis of NMR data using advanced line shape fitting

(2017) Markus Niklasson et al.   JOURNAL OF BIOMOLECULAR NMR

New Views of Functionally Dynamic Proteins by Solution NMR Spectroscopy

(2016) Lewis E. Kay   JOURNAL OF MOLECULAR BIOLOGY

Evolution of a Protein Interaction Domain Family by Tuning Conformational Flexibility

(2016) Dustin S. Whitney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conformational footprints

(2016) Buyong Ma et al.   Nature Chemical Biology

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

(2016) Eleanor Campbell et al.   Nature Chemical Biology

Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models

(2016) Sheel C. Dodani et al.   Nature Chemistry

Enzyme Dynamics from NMR Spectroscopy

(2015) Arthur G. Palmer   ACCOUNTS OF CHEMICAL RESEARCH

Markov State Models Provide Insights into Dynamic Modulation of Protein Function

(2015) Diwakar Shukla et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Structural Ensemble for the Enzyme Cyclophilin Reveals an Orchestrated Mode of Action at Atomic Resolution

(2015) Celestine N. Chi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The nature of chemical innovation: new enzymes by evolution

(2015) Frances H. Arnold   QUARTERLY REVIEWS OF BIOPHYSICS

Systematic Mapping of Protein Mutational Space by Prolonged Drift Reveals the Deleterious Effects of Seemingly Neutral Mutations

(2015) Liat Rockah-Shmuel et al.   PLoS Computational Biology

Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit

(2015) Daniel A. Keedy et al.   PLoS Computational Biology

Thermal fluctuations of immature SOD1 lead to separate folding and misfolding pathways

(2015) Ashok Sekhar et al.   eLife

Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography

(2015) Daniel A Keedy et al.   eLife

NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy

(2014) Woonghee Lee et al.   BIOINFORMATICS

Evolutionary Aspects of Enzyme Dynamics

(2014) Judith P. Klinman et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Conformational Changes and Free Energies in a Proline Isomerase

(2014) Elena Papaleo et al.   Journal of Chemical Theory and Computation

Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism

(2014) C. Camilloni et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

PINT: a software for integration of peak volumes and extraction of relaxation rates

(2013) Alexandra Ahlner et al.   JOURNAL OF BIOMOLECULAR NMR

Precision is essential for efficient catalysis in an evolved Kemp eliminase

(2013) Rebecca Blomberg et al.   NATURE

Automated identification of functional dynamic contact networks from X-ray crystallography

(2013) Henry van den Bedem et al.   NATURE METHODS

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

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

Towards automated crystallographic structure refinement withphenix.refine

(2012) Pavel V. Afonine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Studying “Invisible” Excited Protein States in Slow Exchange with a Major State Conformation

(2012) Pramodh Vallurupalli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and dynamics of a primordial catalytic fold generated by in vitro evolution

(2012) Fa-An Chao et al.   Nature Chemical Biology

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme

(2012) Nobuhiko Tokuriki et al.   Nature Communications

Modelling dynamics in protein crystal structures by ensemble refinement

(2012) B Tom Burnley et al.   eLife

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

Role of Prolylcis/transIsomers in Cyclophilin-AssistedPseudomonas syringaeAvrRpt2 Protease Activation

(2010) Tobias Aumüller et al.   BIOCHEMISTRY

Hidden alternative structures of proline isomerase essential for catalysis

(2009) James S. Fraser et al.   NATURE

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

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

Exploring protein fitness landscapes by directed evolution

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

Protein Dynamism and Evolvability

(2009) N. Tokuriki et al.   SCIENCE

Sending Signals Dynamically

(2009) R. G. Smock et al.   SCIENCE