De novo design of a transmembrane Zn2+-transporting four-helix bundle

Magic-Angle-Spinning NMR Techniques for Measuring Long-Range Distances in Biological Macromolecules

(2013) Mei Hong et al.   ACCOUNTS OF CHEMICAL RESEARCH

Computational Enzyme Design

(2013) Gert Kiss et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Designing functional metalloproteins: From structural to catalytic metal sites

(2013) Melissa L. Zastrow et al.   COORDINATION CHEMISTRY REVIEWS

Absolute free energies of biomolecules from unperturbed ensembles

(2013) Gevorg Grigoryan   JOURNAL OF COMPUTATIONAL CHEMISTRY

Influence of Active Site Location on Catalytic Activity in de Novo-Designed Zinc Metalloenzymes

(2013) Melissa L. Zastrow et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational design of ligand-binding proteins with high affinity and selectivity

(2013) Christine E. Tinberg et al.   NATURE

Dead-end elimination with perturbations (DEEPer): A provable protein design algorithm with continuous sidechain and backbone flexibility

(2013) Mark A. Hallen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Recoupled separated-local-field experiments and applications to study intermediate-regime molecular motions

(2012) Marcio Fernando Cobo et al.   JOURNAL OF MAGNETIC RESONANCE

Principles for designing ideal protein structures

(2012) Nobuyasu Koga et al.   NATURE

Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins

(2012) Amanda J. Reig et al.   Nature Chemistry

Structural basis for proton conduction and inhibition by the influenza M2 protein

(2012) Mei Hong et al.   PROTEIN SCIENCE

Knowledge-Based Potential for Positioning Membrane-Associated Structures and Assessing Residue-Specific Energetic Contributions

(2012) Chaim A. Schramm et al.   STRUCTURE

Computational Design of Membrane Proteins

(2012) Jose Manuel Perez-Aguilar et al.   STRUCTURE

Fluid phase lipid areas and bilayer thicknesses of commonly used phosphatidylcholines as a function of temperature

(2011) Norbert Kučerka et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

The Alternating-Access Mechanism of MFS Transporters Arises from Inverted-Topology Repeats

(2011) Sebastian Radestock et al.   JOURNAL OF MOLECULAR BIOLOGY

Antiparallel EmrE exports drugs by exchanging between asymmetric structures

(2011) Emma A. Morrison et al.   NATURE

Hydrolytic catalysis and structural stabilization in a designed metalloprotein

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

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

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

Probing Designability via a Generalized Model of Helical Bundle Geometry

(2010) Gevorg Grigoryan et al.   JOURNAL OF MOLECULAR BIOLOGY

De Novo Design and Molecular Assembly of a Transmembrane Diporphyrin-Binding Protein Complex

(2010) Ivan V. Korendovych et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental and Computational Evaluation of Forces Directing the Association of Transmembrane Helices

(2009) Yao Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design of protein-interaction specificity gives selective bZIP-binding peptides

(2009) Gevorg Grigoryan et al.   NATURE

Identification of the functional core of the influenza A virus A/M2 proton-selective ion channel

(2009) C. Ma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Association energetics of membrane spanning α-helices

(2008) K MACKENZIE et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Intermediate motions as studied by solid-state separated local field NMR experiments

(2008) Eduardo Ribeiro deAzevedo et al.   JOURNAL OF CHEMICAL PHYSICS

Protein-Protein Interactions in the Membrane: Sequence, Structural, and Biological Motifs

(2008) David T. Moore et al.   STRUCTURE