Structural features of [NiFeSe] and [NiFe] hydrogenases determining their different properties: a computational approach

Nickel-Iron-Selenium Hydrogenases - An Overview

(2011) Carla S. A. Baltazar et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

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

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

Is engineering O2-tolerant hydrogenases just a matter of reproducing the active sites of the naturally occurring O2-resistant enzymes?

(2010) Fanny Leroux et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The Crystal Structure of the [NiFe] Hydrogenase from the Photosynthetic Bacterium Allochromatium vinosum: Characterization of the Oxidized Enzyme (Ni-A State)

(2010) Hideaki Ogata et al.   JOURNAL OF MOLECULAR BIOLOGY

Original Design of an Oxygen-Tolerant [NiFe] Hydrogenase: Major Effect of a Valine-to-Cysteine Mutation near the Active Site

(2010) Pierre-Pol Liebgott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Autocatalytic Mechanism for NiFe-Hydrogenase: Reduction to Ni(I) Followed by Oxidative Addition

(2009) Sten O. Nilsson Lill et al.   BIOCHEMISTRY

The Three-Dimensional Structure of [NiFeSe] Hydrogenase from Desulfovibrio vulgaris Hildenborough: A Hydrogenase without a Bridging Ligand in the Active Site in Its Oxidised, “as-Isolated” State

(2009) Marta C. Marques et al.   JOURNAL OF MOLECULAR BIOLOGY

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

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

Visible Light-Driven H2Production by Hydrogenases Attached to Dye-Sensitized TiO2Nanoparticles

(2009) Erwin Reisner 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

Looking for the minimum common denominator in haem–copper oxygen reductases: Towards a unified catalytic mechanism

(2008) Manuela M. Pereira et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Density functional theory on the larger active site models for [NiFe] hydrogenases: Two-state reactivity?

(2008) Hong Wu et al.   COMPTES RENDUS CHIMIE

FTIR spectroelectrochemical characterization of the Ni–Fe–Se hydrogenase from Desulfovibrio vulgaris Hildenborough

(2008) Antonio L. De Lacey et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

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

A QM/MM study of proton transport pathways in a [NiFe] hydrogenase

(2008) Ignacio Fdez. Galván et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS