Coarse-grained simulation of cellulose Iβ with application to long fibrils

Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis

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

REACH Coarse-Grained Simulation of a Cellulose Fiber

(2012) Dennis C. Glass et al.   BIOMACROMOLECULES

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields

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

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

Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers

(2011) Praveen Depa et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-Grain Model for Glucose, Cellobiose, and Cellotetraose in Water

(2011) Antti-Pekka Hynninen et al.   Journal of Chemical Theory and Computation

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

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

A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils

(2011) Goundla Srinivas et al.   Journal of Chemical Theory and Computation

Analysis of Twisting of Cellulose Nanofibrils in Atomistic Molecular Dynamics Simulations

(2011) Sami Paavilainen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Temperature Behavior of Cellulose I

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

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

Exploring the utility of coarse-grained water models for computational studies of interfacial systems

(2010) Xibing He et al.   MOLECULAR PHYSICS

Martini Coarse-Grained Force Field: Extension to Carbohydrates

(2009) Cesar A. López et al.   Journal of Chemical Theory and Computation

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

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

(2009) Malin Bergenstråhle et al.   LANGMUIR

Wetting the (110) and (100) Surfaces of Iβ Cellulose Studied by Molecular Dynamics

(2008) Karim Mazeau et al.   BIOMACROMOLECULES

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

Additive empirical force field for hexopyranose monosaccharides

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

Dynamics of Cellulose−Water Interfaces:  NMR Spin−Lattice Relaxation Times Calculated from Atomistic Computer Simulations

(2008) Malin Bergenstråhle et al.   JOURNAL OF PHYSICAL CHEMISTRY B