Gaining insight into cell wall cellulose macrofibril organisation by simulating microfibril adsorption

The molecular origins of twist in cellulose I-beta

(2015) Lintao Bu et al.   CARBOHYDRATE POLYMERS

Application of X-ray and neutron small angle scattering techniques to study the hierarchical structure of plant cell walls: A review

(2015) Marta Martínez-Sanz et al.   CARBOHYDRATE POLYMERS

Unique Aspects of the Structure and Dynamics of Elementary IβCellulose Microfibrils Revealed by Computational Simulations

(2015) Daniel P. Oehme et al.   PLANT PHYSIOLOGY

The Cell Biology of Cellulose Synthesis

(2014) Heather E. McFarlane et al.   Annual Review of Plant Biology

Advances in solid-state NMR of cellulose

(2014) Marcus Foston   CURRENT OPINION IN BIOTECHNOLOGY

Water Structuring over the Hydrophobic Surface of Cellulose

(2014) Hitomi Miyamoto et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

TheArabidopsisCOBRA Protein Facilitates Cellulose Crystallization at the Plasma Membrane

(2014) Nadav Sorek et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The pattern of xylan acetylation suggests xylan may interact with cellulose microfibrils as a twofold helical screw in the secondary plant cell wall ofArabidopsis thaliana

(2014) Marta Busse-Wicher et al.   PLANT JOURNAL

Erratum to: Molecular dynamics simulation study of xyloglucan adsorption on cellulose surfaces: effects of surface hydrophobicity and side-chain variation

(2013) Zhen Zhao et al.   CELLULOSE

Diversity of potential hydrogen bonds in cellulose I revealed by molecular dynamics simulation

(2013) Pan Chen et al.   CELLULOSE

Size, shape, and arrangement of native cellulose fibrils in maize cell walls

(2013) Shi-You Ding et al.   CELLULOSE

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

(2013) Emal M. Alekozai et al.   CELLULOSE

Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis

(2013) Zhen Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Using collective variables to drive molecular dynamics simulations

(2013) Giacomo Fiorin et al.   MOLECULAR PHYSICS

Wide-Angle X-Ray Scattering and Solid-State Nuclear Magnetic Resonance Data Combined to Test Models for Cellulose Microfibrils in Mung Bean Cell Walls

(2013) R. H. Newman et al.   PLANT PHYSIOLOGY

Hemicellulose biosynthesis

(2013) Markus Pauly et al.   PLANTA

Free energy calculation of single molecular interaction using Jarzynski’s identity method: the case of HIV-1 protease inhibitor system

(2012) De-Chang Li et al.   ACTA MECHANICA SINICA

Dynamics of cello-oligosaccharides on a cellulose crystal surface

(2012) Suma Peri et al.   CELLULOSE

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields

(2012) James F. Matthews et al.   Journal of Chemical Theory and Computation

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

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

A Revised Architecture of Primary Cell Walls Based on Biomechanical Changes Induced by Substrate-Specific Endoglucanases

(2012) Y. B. Park et al.   PLANT PHYSIOLOGY

Structure of Cellulose Microfibrils in Primary Cell Walls from Collenchyma

(2012) L. H. Thomas et al.   PLANT PHYSIOLOGY

Structural basis for entropy-driven cellulose binding by a type-A cellulose-binding module (CBM) and bacterial expansin

(2012) N. Georgelis et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

How Does Plant Cell Wall Nanoscale Architecture Correlate with Enzymatic Digestibility?

(2012) S.-Y. Ding et al.   SCIENCE

Comparative structure and biomechanics of plant primary and secondary cell walls

(2012) Daniel J. Cosgrove et al.   Frontiers in Plant Science

The adsorption of xyloglucan on cellulose: effects of explicit water and side chain variation

(2011) Qiong Zhang et al.   CARBOHYDRATE RESEARCH

Conversion of cellulose Iα to Iβ via a high temperature intermediate (I-HT) and other cellulose phase transformations

(2011) James F. Matthews et al.   CELLULOSE

Cellulose nanomaterials review: structure, properties and nanocomposites

(2011) Robert J. Moon et al.   CHEMICAL SOCIETY REVIEWS

Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation

(2011) Shih-Wei Hung et al.   JOURNAL OF CHEMICAL PHYSICS

High-Temperature Behavior of Cellulose I

(2011) James F. Matthews et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Decrystallization of Oligosaccharides from the Cellulose Iβ Surface with Molecular Simulation

(2011) Christina M. Payne et al.   Journal of Physical Chemistry Letters

Nanostructure of cellulose microfibrils in spruce wood

(2011) A. N. Fernandes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

In silicostudies of crystalline cellulose and its degradation by enzymes

(2010) Giovanni Bellesia et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Simulation studies of the insolubility of cellulose

(2010) Malin Bergenstråhle et al.   CARBOHYDRATE RESEARCH

Evans Review: Plant cell walls: the skeleton of the plant world

(2010) Monika S. Doblin et al.   FUNCTIONAL PLANT BIOLOGY

On the Molecular Origins of Biomass Recalcitrance: The Interaction Network and Solvation Structures of Cellulose Microfibrils

(2010) Adam S. Gross 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

Tools for Cellulose Analysis in Plant Cell Walls

(2010) D. Harris et al.   PLANT PHYSIOLOGY

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

(2009) Malin Bergenstråhle et al.   LANGMUIR

Real-Time Imaging of Cellulose Reorientation during Cell Wall Expansion in Arabidopsis Roots

(2009) C. T. Anderson et al.   PLANT PHYSIOLOGY

Additive empirical force field for hexopyranose monosaccharides

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