Mechanistic insight into the blocking of CO diffusion in [NiFe]-hydrogenase mutants through multiscale simulation

CO2 photoreduction at enzyme-modified metal oxide nanoparticles

(2011) Thomas W. Woolerton et al.   Energy & Environmental Science

Multiscale Simulation Reveals Multiple Pathways for H2and O2Transport in a [NiFe]-Hydrogenase

(2011) Po-hung Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenase

(2011) Tobias Goris et al.   Nature Chemical Biology

A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase

(2011) Po-hung Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparing Photosynthetic and Photovoltaic Efficiencies and Recognizing the Potential for Improvement

(2011) R. E. Blankenship et al.   SCIENCE

Ligand diffusion in globins: simulations versus experiment

(2010) Ron Elber   CURRENT OPINION IN STRUCTURAL BIOLOGY

The quest for a functional substrate access tunnel in FeFe hydrogenase

(2010) Thomas Lautier et al.   FARADAY DISCUSSIONS

Characteristics of Enzyme-Based Hydrogen Fuel Cells Using an Oxygen-Tolerant Hydrogenase as the Anodic Catalyst

(2010) Annemarie F. Wait et al.   Journal of Physical Chemistry C

Solar Fuels via Artificial Photosynthesis

(2009) Devens Gust et al.   ACCOUNTS OF CHEMICAL RESEARCH

The oxygen-binding vs. oxygen-consuming paradigm in biocatalysis: structural biology and biomolecular simulation

(2009) Riccardo Baron et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Kinetics of Carbon Monoxide Migration and Binding in Solvated Myoglobin as Revealed by Molecular Dynamics Simulations and Quantum Mechanical Calculations

(2009) Marco D’Abramo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Introduction of Methionines in the Gas Channel Makes [NiFe] Hydrogenase Aero-Tolerant

(2009) Sébastien Dementin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Relating diffusion along the substrate tunnel and oxygen sensitivity in hydrogenase

(2009) Pierre-Pol Liebgott et al.   Nature Chemical Biology

Multiple pathways guide oxygen diffusion into flavoenzyme active sites

(2009) R. Baron et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The gates of ion channels and enzymes

(2009) Huan-Xiang Zhou et al.   TRENDS IN BIOCHEMICAL SCIENCES

Hydrogen-Activating Enzymes: Activity Does Not Correlate with Oxygen Sensitivity

(2008) Carole Baffert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Binding and Release of Oxygen and Hydrogen Peroxide Are Directed by a Hydrophobic Tunnel in Cholesterol Oxidase†

(2008) Lin Chen et al.   BIOCHEMISTRY

Dynamic electrochemical investigations of hydrogen oxidation and production by enzymes and implications for future technology

(2008) Fraser A. Armstrong et al.   CHEMICAL SOCIETY REVIEWS

[FeFe]-Hydrogenase-Catalyzed H2Production in a Photoelectrochemical Biofuel Cell

(2008) Michael Hambourger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin

(2008) J. Z. Ruscio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Experimental approaches to kinetics of gas diffusion in hydrogenase

(2008) F. Leroux et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA