Computational Investigation of the pH Dependence of Loop Flexibility and Catalytic Function in Glycoside Hydrolases

Structural, Biochemical, and Computational Characterization of the Glycoside Hydrolase Family 7 Cellobiohydrolase of the Tree-killing FungusHeterobasidion irregulare

(2013) Majid Haddad Momeni et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Novel enzymes for the degradation of cellulose

(2012) Svein Horn et al.   Biotechnology for Biofuels

Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-binding Module on Cellulose

(2012) Mark R. Nimlos et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Product Binding Varies Dramatically between Processive and Nonprocessive Cellulase Enzymes

(2012) Lintao Bu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics

(2012) Jason M. Swails et al.   Journal of Chemical Theory and Computation

Effect of pH and temperature on the global compactness, structure, and activity of cellobiohydrolase Cel7A from Trichoderma harzianum

(2011) Francieli Colussi et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Multiple Functions of Aromatic-Carbohydrate Interactions in a Processive Cellulase Examined with Molecular Simulation

(2011) Christina M. Payne et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Probing Carbohydrate Product Expulsion from a Processive Cellulase with Multiple Absolute Binding Free Energy Methods

(2011) Lintao Bu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Small Angle Neutron Scattering Reveals pH-dependent Conformational Changes inTrichoderma reeseiCellobiohydrolase I

(2011) Sai Venkatesh Pingali et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Computational Investigation of Glycosylation Effects on a Family 1 Carbohydrate-binding Module

(2011) Courtney B. Taylor et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange

(2011) Jason A. Wallace et al.   Journal of Chemical Theory and Computation

Insights into the oxidative degradation of cellulose by a copper metalloenzyme that exploits biomass components

(2011) R. J. Quinlan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modulating the pH-activity profile of cellulase A from Cellulomonas fimi by replacement of surface residues

(2011) D. W. Cockburn et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Deconstruction of Lignocellulosic Biomass to Fuels and Chemicals

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

Modulating the pH−Activity Profile of Cellulase by Substitution: Replacing the General Base Catalyst Aspartate with Cysteinesulfinate in Cellulase A fromCellulomonas fimi

(2010) Darrell W. Cockburn et al.   BIOCHEMISTRY

The O-Glycosylated Linker from the Trichoderma reesei Family 7 Cellulase Is a Flexible, Disordered Protein

(2010) Gregg T. Beckham et al.   BIOPHYSICAL JOURNAL

Applications of computational science for understanding enzymatic deconstruction of cellulose

(2010) Gregg T Beckham et al.   CURRENT OPINION IN BIOTECHNOLOGY

Processivity of Cellobiohydrolases Is Limited by the Substrate

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

Glycosidic-Bond Hydrolysis Mechanism Catalyzed by Cellulase Cel7A from Trichoderma reesei: A Comprehensive Theoretical Study by Performing MD, QM, and QM/MM Calculations

(2010) Jinghua Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Pyranose Ring Transition State Is Derived from Cellobiohydrolase I Induced Conformational Stability and Glycosidic Bond Polarization

(2010) Christopher B. Barnett et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Oxidative Enzyme Boosting the Enzymatic Conversion of Recalcitrant Polysaccharides

(2010) Gustav Vaaje-Kolstad et al.   SCIENCE

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular determinants of the pKavalues of Asp and Glu residues in staphylococcal nuclease

(2009) Carlos A. Castañeda et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Comparative secretome analyses of two Trichoderma reesei RUT-C30 and CL847 hypersecretory strains

(2008) Isabelle Herpoël-Gimbert et al.   Biotechnology for Biofuels

Engineering endoglucanase II from Trichoderma reesei to improve the catalytic efficiency at a higher pH optimum

(2008) Y QIN et al.   JOURNAL OF BIOTECHNOLOGY

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The Carbohydrate-Active EnZymes database (CAZy): an expert resource for Glycogenomics

(2008) B. L. Cantarel et al.   NUCLEIC ACIDS RESEARCH