The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations

Origin of the twist of cellulosic materials

(2016) Kevin Conley et al.   CARBOHYDRATE POLYMERS

The molecular origins of twist in cellulose I-beta

(2015) Lintao Bu et al.   CARBOHYDRATE POLYMERS

Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate Complexes

(2015) Sushil K. Mishra et al.   Journal of Chemical Theory and Computation

Molecular dynamics study on stiffness and ductility in chitin–protein composite

(2015) Zechuan Yu et al.   JOURNAL OF MATERIALS SCIENCE

Development of a coarse-grained α-chitin model on the basis of MARTINI forcefield

(2015) Zechuan Yu et al.   JOURNAL OF MOLECULAR MODELING

Molecular mechanisms for the adhesion of chitin and chitosan to montmorillonite clay

(2015) Yan Wang et al.   RSC Advances

Wet spinning of fibers made of chitosan and chitin nanofibrils

(2014) Vladimir E. Yudin et al.   CARBOHYDRATE POLYMERS

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Ab InitioBased conformational study of the crystalline α-chitin

(2012) Michal Petrov et al.   BIOPOLYMERS

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields

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

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

(2012) Nadine Homeyer et al.   Molecular Informatics

Entropy of cellulose dissolution in water and in the ionic liquid 1-butyl-3-methylimidazolim chloride

(2012) Adam S. Gross et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Analysis of Twisting of Cellulose Nanofibrils in Atomistic Molecular Dynamics Simulations

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

Examination of the α-Chitin Structure and Decrystallization Thermodynamics at the Nanoscale

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

Recent advances in understanding mechanisms of insect cuticle differentiation

(2010) Bernard Moussian   INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY

Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations

(2010) S. Nikolov et al.   Journal of the Mechanical Behavior of Biomedical Materials

Influence of Structural Principles on the Mechanics of a Biological Fiber-Based Composite Material with Hierarchical Organization: The Exoskeleton of the LobsterHomarus americanus

(2009) Helge-Otto Fabritius et al.   ADVANCED MATERIALS

Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle

(2009) Svetoslav Nikolov et al.   ADVANCED MATERIALS

Revisit of α-Chitin Crystal Structure Using High Resolution X-ray Diffraction Data

(2009) Pawel Sikorski et al.   BIOMACROMOLECULES

Microtexture and Chitin/Calcite Orientation Relationship in the Mineralized Exoskeleton of the American Lobster

(2008) Ali Al-Sawalmih et al.   ADVANCED FUNCTIONAL MATERIALS

Preparation of Chitin Nanofibers from Squid Pen β-Chitin by Simple Mechanical Treatment under Acid Conditions

(2008) Yimin Fan et al.   BIOMACROMOLECULES

Chitin synthases are required for survival, fecundity and egg hatch in the red flour beetle, Tribolium castaneum

(2008) Yasuyuki Arakane et al.   INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY

Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution

(2008) Eduardo F. Franca et al.   Journal of Chemical Theory and Computation

Spatial distribution of calcite and amorphous calcium carbonate in the cuticle of the terrestrial crustaceans Porcellio scaber and Armadillidium vulgare

(2008) Sabine Hild et al.   JOURNAL OF STRUCTURAL BIOLOGY