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

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

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

Ligand diffusion in globins: simulations versus experiment

(2010) Ron Elber   CURRENT OPINION IN STRUCTURAL BIOLOGY

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

CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study

(2010) Luca Bertini et al.   ORGANOMETALLICS

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

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

Reactive flux and folding pathways in network models of coarse-grained protein dynamics

(2009) Alexander Berezhkovskii et al.   JOURNAL OF CHEMICAL PHYSICS

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

Electrochemical Kinetic Investigations of the Reactions of [FeFe]-Hydrogenases with Carbon Monoxide and Oxygen: Comparing the Importance of Gas Tunnels and Active-Site Electronic/Redox Effects

(2009) Gabrielle Goldet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Mapping the Network of Pathways of CO Diffusion in Myoglobin

(2009) Luca Maragliano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

How oxygen attacks [FeFe] hydrogenases from photosynthetic organisms

(2009) S. T. Stripp et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A kinetic and thermodynamic understanding of O2 tolerance in [NiFe]-hydrogenases

(2009) J. A. Cracknell et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2008) Lin Chen et al.   BIOCHEMISTRY

Hydrogen photoproduction by nutrient-deprivedChlamydomonas reinhardtiicells immobilized within thin alginate films under aerobic and anaerobic conditions

(2008) Sergey N. Kosourov et al.   BIOTECHNOLOGY AND BIOENGINEERING

A search for ligand diffusion pathway in myoglobin using a metadynamics simulation

(2008) Yasutaka Nishihara et al.   CHEMICAL PHYSICS LETTERS

Enzymes as Working or Inspirational Electrocatalysts for Fuel Cells and Electrolysis

(2008) James A. Cracknell et al.   CHEMICAL REVIEWS

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

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

Solar water-splitting into H2 and O2: design principles of photosystem II and hydrogenases

(2008) Wolfgang Lubitz et al.   Energy & Environmental Science

On the Oxygen Reactivity of Flavoprotein Oxidases

(2008) Luciano Piubelli et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

On the assumptions underlying milestoning

(2008) Eric Vanden-Eijnden et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse Master Equations for Peptide Folding Dynamics†

(2008) Nicolae-Viorel Buchete et al.   JOURNAL OF PHYSICAL CHEMISTRY B

[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