Physical constraints and functional plasticity of cellulases

Selective pressure on an interfacial enzyme: Functional roles of a highly conserved asparagine residue in a cellulase

(2020) Trine Holst Sørensen et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Activation Free Energy, Substrate Binding Free Energy, and Enzyme Efficiency Fall in a Very Narrow Range of Values for Most Enzymes

(2020) Sérgio F. Sousa et al.   ACS Catalysis

Scaling Relationships and Volcano Plots in Homogeneous Catalysis

(2020) Megha Anand et al.   Journal of Physical Chemistry Letters

A practical approach to steady-state kinetic analysis of cellulases acting on their natural insoluble substrate

(2019) Jeppe Kari et al.   ANALYTICAL BIOCHEMISTRY

Industrial applications of immobilized enzymes—A review

(2019) Alessandra Basso et al.   Molecular Catalysis

Fast Calculation of Protein–Protein Binding Free Energies Using Umbrella Sampling with a Coarse-Grained Model

(2018) Jagdish Suresh Patel et al.   Journal of Chemical Theory and Computation

Michaelis–Menten equation for degradation of insoluble substrate

(2018) Morten Andersen et al.   MATHEMATICAL BIOSCIENCES

Rate-limiting step and substrate accessibility of cellobiohydrolase Cel6A from Trichoderma reesei

(2018) Stefan J. Christensen et al.   FEBS Journal

Sabatier Principle for Interfacial (Heterogeneous) Enzyme Catalysis

(2018) Jeppe Kari et al.   ACS Catalysis

Umbrella sampling molecular dynamics simulations reveal concerted ion movement through G-quadruplex DNA channels

(2017) Parisa Akhshi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An Inverse Michaelis–Menten Approach for Interfacial Enzyme Kinetics

(2017) Jeppe Kari et al.   ACS Catalysis

Microbial enzymes for the recycling of recalcitrant petroleum-based plastics: how far are we?

(2017) Ren Wei et al.   Microbial Biotechnology

Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design

(2016) Jeffrey Greeley   Annual Review of Chemical and Biomolecular Engineering

Kissing loop interaction in adenine riboswitch: insights from umbrella sampling simulations

(2015) Francesco Di Palma et al.   BMC BIOINFORMATICS

Fungal Cellulases

(2015) Christina M. Payne et al.   CHEMICAL REVIEWS

Temperature Effects on Kinetic Parameters and Substrate Affinity of Cel7A Cellobiohydrolases

(2015) Trine Holst Sørensen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Relationship between Enzyme/Substrate Properties and Enzyme Efficiency in Hydrolases

(2015) Sérgio F. Sousa et al.   ACS Catalysis

Transient Kinetics and Rate-Limiting Steps for the Processive Cellobiohydrolase Cel7A: Effects of Substrate Structure and Carbohydrate Binding Domain

(2013) Nicolaj Cruys-Bagger et al.   BIOCHEMISTRY

A generic rate law for surface-active enzymes

(2013) Önder Kartal et al.   FEBS LETTERS

The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies

(2013) Brandon C. Knott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Glycoside Hydrolase Processivity Is Directly Related to Oligosaccharide Binding Free Energy

(2013) Christina M. Payne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The carbohydrate-active enzymes database (CAZy) in 2013

(2013) Vincent Lombard et al.   NUCLEIC ACIDS RESEARCH

Cellulose-Builder: A toolkit for building crystalline structures of cellulose

(2012) Thiago C. F. Gomes et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The Moderately Efficient Enzyme: Evolutionary and Physicochemical Trends Shaping Enzyme Parameters

(2011) Arren Bar-Even et al.   BIOCHEMISTRY

The realm of cellulases in biorefinery development

(2011) Anuj K. Chandel et al.   CRITICAL REVIEWS IN BIOTECHNOLOGY

Origin of Initial Burst in Activity forTrichoderma reesei endo-Glucanases Hydrolyzing Insoluble Cellulose

(2011) Leigh Murphy et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling

(2011) Olgun Guvench et al.   Journal of Chemical Theory and Computation

Molecular-Level Origins of Biomass Recalcitrance: Decrystallization Free Energies for Four Common Cellulose Polymorphs

(2011) Gregg T. Beckham et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A structural study of Hypocrea jecorina Cel5A

(2011) Toni M. Lee et al.   PROTEIN SCIENCE

Deconstruction of Lignocellulosic Biomass to Fuels and Chemicals

(2011) Shishir P.S. Chundawat et al.   Annual Review of Chemical and Biomolecular Engineering

Molecular simulations of carbohydrates and protein–carbohydrate interactions: motivation, issues and prospects

(2010) Elisa Fadda et al.   DRUG DISCOVERY TODAY

Processivity of Cellobiohydrolases Is Limited by the Substrate

(2010) Mihhail Kurašin et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Identification of Amino Acids Responsible for Processivity in a Family 1 Carbohydrate-Binding Module from a Fungal Cellulase

(2010) Gregg T. Beckham et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Force Pulling of Single Cellulose Chains at the Crystalline Cellulose−Liquid Interface: A Molecular Dynamics Study

(2009) Malin Bergenstråhle et al.   LANGMUIR

Enzyme catalysis on solid surfaces

(2008) Nicolas Laurent et al.   TRENDS IN BIOTECHNOLOGY