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

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Spider's Fang: How to Design an Injection Needle Using Chitin-Based Composite Material

(2012) Yael Politi et al.   ADVANCED FUNCTIONAL MATERIALS

Ab InitioBased conformational study of the crystalline α-chitin

(2012) Michal Petrov et al.   BIOPOLYMERS

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

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

CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling

(2011) Olgun Guvench et al.   Journal of Chemical Theory and Computation

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

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

Insights into Chemistry of Biological Materials: Newly Discovered Silica-Aragonite-Chitin Biocomposites in Demosponges

(2010) Hermann Ehrlich et al.   CHEMISTRY OF MATERIALS

Structure, function, and self-assembly of single network gyroid (I4132) photonic crystals in butterfly wing scales

(2010) V. Saranathan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Martini Coarse-Grained Force Field: Extension to Carbohydrates

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

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

Structure and mechanical properties of crab exoskeletons

(2008) Po-Yu Chen et al.   Acta Biomaterialia

Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution

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

The MARTINI Coarse-Grained Force Field: Extension to Proteins

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