Rational design of proteins that exchange on functional timescales

Principles for designing proteins with cavities formed by curved β sheets

(2017) Enrique Marcos et al.   SCIENCE

Protein Ensembles: How Does Nature Harness Thermodynamic Fluctuations for Life? The Diverse Functional Roles of Conformational Ensembles in the Cell

(2016) Guanghong Wei et al.   CHEMICAL REVIEWS

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

(2016) Eleanor Campbell et al.   Nature Chemical Biology

The energy landscape of adenylate kinase during catalysis

(2015) S Jordan Kerns et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Optimization of rotamers prior to template minimization improves stability predictions made by computational protein design

(2015) James A. Davey et al.   PROTEIN SCIENCE

Prediction of Stable Globular Proteins Using Negative Design with Non-native Backbone Ensembles

(2015) James A. Davey et al.   STRUCTURE

The energy landscape of adenylate kinase during catalysis

(2015) S Jordan Kerns et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Protein design algorithms predict viable resistance to an experimental antifolate

(2015) Stephanie M. Reeve et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Improving the accuracy of protein stability predictions with multistate design using a variety of backbone ensembles

(2013) James A. Davey et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Principles for designing ideal protein structures

(2012) Nobuyasu Koga et al.   NATURE

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

Computational Design of a PDZ Domain Peptide Inhibitor that Rescues CFTR Activity

(2012) Kyle E. Roberts et al.   PLoS Computational Biology

Solution structure of a minor and transiently formed state of a T4 lysozyme mutant

(2011) Guillaume Bouvignies et al.   NATURE

Ultrahigh resolution protein structures using NMR chemical shift tensors

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

A Dynamic Knockout Reveals That Conformational Fluctuations Influence the Chemical Step of Enzyme Catalysis

(2011) G. Bhabha et al.   SCIENCE

An introduction to NMR-based approaches for measuring protein dynamics

(2010) Ian R. Kleckner et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

RosettaBackrub--a web server for flexible backbone protein structure modeling and design

(2010) F. Lauck et al.   NUCLEIC ACIDS RESEARCH

Experimental library screening demonstrates the successful application of computational protein design to large structural ensembles

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

Generation of longer emission wavelength red fluorescent proteins using computationally designed libraries

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

WW: An isolated three-stranded antiparallel β-sheet domain that unfolds and refolds reversibly; evidence for a structured hydrophobic cluster in urea and GdnHCl and a disordered thermal unfolded state

(2010) Edward K. Koepf et al.   PROTEIN SCIENCE

Structural origins of pH-dependent chemical shifts in the B1 domain of protein G

(2010) Jennifer H. Tomlinson et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Role of conformational sampling in computing mutation-induced changes in protein structure and stability

(2010) Elizabeth H. Kellogg et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Two-point anchoring of a lanthanide-binding peptide to a target protein enhances the paramagnetic anisotropic effect

(2009) Tomohide Saio et al.   JOURNAL OF BIOMOLECULAR NMR

TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts

(2009) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

Dynamic activation of an allosteric regulatory protein

(2009) Shiou-Ru Tzeng et al.   NATURE

Interconversion between two unrelated protein folds in the lymphotactin native state

(2008) Robbyn L. Tuinstra et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

NMR-detected conformational exchange observed in a computationally designed variant of protein G 1

(2008) K. A. Crowhurst et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Protonate3D: Assignment of ionization states and hydrogen coordinates to macromolecular structures

(2008) Paul Labute   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE

Characterization of Specific Protein Association by15N CPMG Relaxation Dispersion NMR:  The GB1A34FMonomer−Dimer Equilibrium†

(2007) JunGoo Jee et al.   JOURNAL OF PHYSICAL CHEMISTRY B