Simulation analysis of the cellulase Cel7A carbohydrate binding module on the surface of the cellulose Iβ

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

Cellulose accessibility limits the effectiveness of minimum cellulase loading on the efficient hydrolysis of pretreated lignocellulosic substrates

(2011) Valdeir Arantes et al.   Biotechnology for Biofuels

Cellobiohydrolase Hydrolyzes Crystalline Cellulose on Hydrophobic Faces

(2011) Yu-San Liu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A Coarse-Grained Model for Molecular Dynamics Simulations of Native Cellulose

(2011) Jakob Wohlert et al.   Journal of Chemical Theory and Computation

Configurational subdiffusion of peptides: A network study

(2011) Thomas Neusius et al.   PHYSICAL REVIEW E

Genetic manipulation of lignin reduces recalcitrance and improves ethanol production from switchgrass

(2011) Chunxiang Fu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

(2011) I. Buch et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Diffusion of hydrophobin proteins in solution and interactions with a graphite surface

(2011) Paolo Mereghetti et al.   BMC Biophysics

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

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

Brownian Dynamics Simulation of Protein Solutions: Structural and Dynamical Properties

(2010) Paolo Mereghetti et al.   BIOPHYSICAL JOURNAL

Applications of computational science for understanding enzymatic deconstruction of cellulose

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

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

In Situ Imaging of Single Carbohydrate-Binding Modules on Cellulose Microfibrils

(2010) Daryl J. Dagel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Carbohydrate-binding modules promote the enzymatic deconstruction of intact plant cell walls by targeting and proximity effects

(2010) C. Herve et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Diffusion, Crowding & Protein Stability in a Dynamic Molecular Model of the Bacterial Cytoplasm

(2010) Sean R. McGuffee et al.   PLoS Computational Biology

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Carbohydrate-binding domains: multiplicity of biological roles

(2009) Daniel Guillén et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

High Speed Atomic Force Microscopy Visualizes Processive Movement ofTrichoderma reeseiCellobiohydrolase I on Crystalline Cellulose

(2009) Kiyohiko Igarashi et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Progress and challenges in the automated construction of Markov state models for full protein systems

(2009) Gregory R. Bowman et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

The Energy Landscape for the Interaction of the Family 1 Carbohydrate-Binding Module and the Cellulose Surface is Altered by Hydrolyzed Glycosidic Bonds

(2009) Lintao Bu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Systematic Docking Study of the Carbohydrate Binding Module Protein of Cel7A with the Cellulose Iα Crystal Model

(2009) Toshifumi Yui et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Subdiffusion in time-averaged, confined random walks

(2009) Thomas Neusius et al.   PHYSICAL REVIEW E

Dewetting and Hydrophobic Interaction in Physical and Biological Systems

(2008) Bruce J. Berne et al.   Annual Review of Physical Chemistry

Molecular simulation evidence for processive motion of Trichoderma reesei Cel7A during cellulose depolymerization

(2008) Xiongce Zhao et al.   CHEMICAL PHYSICS LETTERS

Additive empirical force field for hexopyranose monosaccharides

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

Subdiffusion in Peptides Originates from the Fractal-Like Structure of Configuration Space

(2008) Thomas Neusius et al.   PHYSICAL REVIEW LETTERS

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

(2007) Jayendran C. Rasaiah et al.   Annual Review of Physical Chemistry