QM/MM Molecular Modeling and Marcus Theory in the Molecular Design of Electrodes for Enzymatic Fuel Cells

Peroxidase activity stabilization of cytochrome P450BM3 by rational analysis of intramolecular electron transfer

(2013) Abraham Vidal-Limón et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c

(2013) Frank H. Wallrapp et al.   PLoS Computational Biology

Hybrid Dynamics Simulation Engine for Metalloproteins

(2012) Manuel Sparta et al.   BIOPHYSICAL JOURNAL

A First Principles-Based Microkinetic Model for the Conversion of Fructose to 5-Hydroxymethylfurfural

(2012) Nima Nikbin et al.   ChemCatChem

Enzymatic fuel cells: Recent progress

(2012) Dónal Leech et al.   ELECTROCHIMICA ACTA

Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase

(2012) Dvir Doron et al.   Journal of Chemical Theory and Computation

Theoretical Studies of Chromophore Maturation in the Wild-Type Green Fluorescent Protein: ONIOM(DFT:MM) Investigation of the Mechanism of Cyclization

(2012) Yingying Ma et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proton Transport Pathways in [NiFe]-Hydrogenase

(2012) Isaiah Sumner et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Insight into the Common Mechanism of the Chromophore Formation in the Red Fluorescent Proteins: The Elusive Blue Intermediate Revealed

(2012) Ksenia B. Bravaya et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c4

(2012) Renat R. Nazmutdinov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum effects in biological electron transfer

(2012) Aurélien de la Lande et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Order-of-magnitude enhancement of an enzymatic hydrogen-air fuel cell based on pyrenyl carbon nanostructures

(2012) Sadagopan Krishnan et al.   Chemical Science

Electron transfer pathways in cytochrome c oxidase

(2011) M. Fátima Lucas et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Recent progress and continuing challenges in bio-fuel cells. Part I: Enzymatic cells

(2011) M.H. Osman et al.   BIOSENSORS & BIOELECTRONICS

Constrained Density Functional Theory

(2011) Benjamin Kaduk et al.   CHEMICAL REVIEWS

Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods

(2011) Artur R. Menzeleev et al.   JOURNAL OF CHEMICAL PHYSICS

Reorganization Energy for Internal Electron Transfer in Multicopper Oxidases

(2011) LiHong Hu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Design Parameters for Tuning the Type 1 Cu Multicopper Oxidase Redox Potential: Insight from a Combination of First Principles and Empirical Molecular Dynamics Simulations

(2011) Gongyi Hong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Three-dimensional electrodes and battery architectures

(2011) Timothy S. Arthur et al.   MRS BULLETIN

Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods

(2011) Marius Wanko et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Toward molecular models of proton pumping: Challenges, methods and relevant applications

(2011) Demian Riccardi et al.   Science China-Chemistry

Design of Carbon Nanotube-Based Gas-Diffusion Cathode for O2 Reduction by Multicopper Oxidases

(2011) Carolin Lau et al.   Advanced Energy Materials

Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

(2010) Seth Difley et al.   ACCOUNTS OF CHEMICAL RESEARCH

Switchable photochemical/electrochemical wiring of glucose oxidase with electrodes

(2010) Omer Yehezkeli et al.   ANALYST

Electron transfer mechanisms, new applications, and performance of biocathode microbial fuel cells

(2010) Liping Huang et al.   BIORESOURCE TECHNOLOGY

A membraneless biofuel cell powered by ethanol and alcoholic beverage

(2010) Liu Deng et al.   BIOSENSORS & BIOELECTRONICS

Molecular design of laccase cathode for direct electron transfer in a biofuel cell

(2010) Javier Martinez-Ortiz et al.   BIOSENSORS & BIOELECTRONICS

Recent Advances in Enzymatic Fuel Cells: Experiments and Modeling

(2010) Ivan Ivanov et al.   Energies

Energy Harvesting and Remote Powering for Implantable Biosensors

(2010) Jacopo Olivo et al.   IEEE SENSORS JOURNAL

Nanostructured catalysts in fuel cells

(2010) Yan Qiao et al.   JOURNAL OF MATERIALS CHEMISTRY

Peroxidase biocathodes for a biofuel cell development

(2010) Celso Gomez et al.   Journal of Renewable and Sustainable Energy

Nanoengineered Electrically Contacted Enzymes on DNA Scaffolds: Functional Assemblies for the Selective Analysis of Hg2+Ions

(2010) Gilad Mor-Piperberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Overview of Enzymatic Biofuel Cells

(2010) S. Aquino Neto et al.   Electrocatalysis

Apoenzyme Reconstitution as a Chemical Tool for Structural Enzymology and Biotechnology

(2009) Ljiljana Fruk et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Breaking the barrier to fast electron transfer

(2009) Soren Demin et al.   BIOELECTROCHEMISTRY

Highly ordered mesoporous carbons-based glucose/O2 biofuel cell

(2009) Ming Zhou et al.   BIOSENSORS & BIOELECTRONICS

Carbon nanotube–hydroxyapatite nanocomposite: A novel platform for glucose/O2 biofuel cell

(2009) H.Y. Zhao et al.   BIOSENSORS & BIOELECTRONICS

Micro-biofuel cell powered by glucose/O2 based on electro-deposition of enzyme, conducting polymer and redox mediators: Preparation, characterization and performance in human serum

(2009) Malika Ammam et al.   BIOSENSORS & BIOELECTRONICS

Electron-Transfer Kinetics of Microperoxidase-11 Covalently Immobilised onto the Surface of Multi-Walled Carbon Nanotubes by Reactive Landing of Mass-Selected Ions

(2009) Franco Mazzei et al.   CHEMISTRY-A EUROPEAN JOURNAL

An easy compartment-less biofuel cell construction based on the physical co-inclusion of enzyme and mediator redox within pressed graphite discs

(2009) Serge Cosnier et al.   ELECTROCHEMISTRY COMMUNICATIONS

Hydrophilic carbon nanoparticle-laccase thin film electrode for mediatorless dioxygen reduction

(2009) Katarzyna Szot et al.   ELECTROCHIMICA ACTA

Membrane-Less Biofuel Cell Based on Cellobiose Dehydrogenase (Anode)/Laccase (Cathode) WiredviaSpecific Os-Redox Polymers

(2009) L. Stoica et al.   Fuel Cells

Hemoproteins in Design of Biofuel Cells

(2009) A. Ramanavicius et al.   Fuel Cells

Integrated Enzyme-Based Biofuel Cells-A Review

(2009) I. Willner et al.   Fuel Cells

Theoretical studies of ionic conductivity of crosslinked chitosan membranes

(2009) Ernesto López Chávez et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Use of bioelectrode containing DNA-wrapped single-walled carbon nanotubes for enzyme-based biofuel cell

(2009) Jin Young Lee et al.   JOURNAL OF POWER SOURCES

A biofuel cell with enhanced performance by multilayer biocatalyst immobilized on highly ordered macroporous electrode

(2008) Liu Deng et al.   BIOSENSORS & BIOELECTRONICS

Laccase electrode for direct electrocatalytic reduction of O2 to H2O with high-operational stability and resistance to chloride inhibition

(2008) Cristina Vaz-Dominguez et al.   BIOSENSORS & BIOELECTRONICS

Biofuel cell and phenolic biosensor based on acid-resistant laccase–glutaraldehyde functionalized chitosan–multiwalled carbon nanotubes nanocomposite film

(2008) Yueming Tan et al.   BIOSENSORS & BIOELECTRONICS

Analysis of heme-reconstitution of apoenzymes by means of surface plasmon resonance

(2008) Ljiljana Fruk et al.   CHEMICAL COMMUNICATIONS

A comparative study on electrochemistry of laccase at two kinds of carbon nanotubes and its application for biofuel cell

(2008) W. Zheng et al.   CHEMICAL PHYSICS LETTERS

Enzymes as Working or Inspirational Electrocatalysts for Fuel Cells and Electrolysis

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

A Miniature glucose/O2 biofuel cell with single-walled carbon nanotubes-modified carbon fiber microelectrodes as the substrate

(2008) Xianchan Li et al.   ELECTROCHEMISTRY COMMUNICATIONS

Multilayer structured carbon nanotubes/poly-l-lysine/laccase composite cathode for glucose/O2 biofuel cell

(2008) Liu Deng et al.   ELECTROCHEMISTRY COMMUNICATIONS

Membrane-less and mediator-free enzymatic biofuel cell using carbon nanotube/porous silicon electrodes

(2008) Shiunchin C. Wang et al.   ELECTROCHEMISTRY COMMUNICATIONS

A high-power glucose/oxygen biofuel cell operating under quiescent conditions

(2008) Hideki Sakai et al.   Energy & Environmental Science

Development of a printable laccase-based biocathode for fuel cell applications

(2008) Maria Smolander et al.   ENZYME AND MICROBIAL TECHNOLOGY

Modelling of Proton Diffusion in Immobilised Imidazole Systems for Application in Fuel Cells

(2008) P. Tölle et al.   Fuel Cells

Complete Oxidation of Glycerol in an Enzymatic Biofuel Cell

(2008) R. L. Arechederra et al.   Fuel Cells

Substrate oxidation sites in versatile peroxidase and other basidiomycete peroxidases

(2008) F. J. Ruiz-Duenas et al.   JOURNAL OF EXPERIMENTAL BOTANY

Kinetics of Redox Polymer-Mediated Enzyme Electrodes

(2008) Joshua W. Gallaway et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biofuel Cell Controlled by Enzyme Logic Systems

(2008) Liron Amir et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY