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Molecular Dynamics Simulations of Bulk Native Crystalline and Amorphous Structures of Cellulose

The journal of physical chemistry. B, 2003-03, Vol.107 (10), p.2394-2403

2003

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The xyloglucan-cellulose assembly at the atomic scale

Biopolymers, 2006-05, Vol.82 (1), p.59-73

2006

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The hygroscopic power of amorphous cellulose: A modeling study

Carbohydrate polymers, 2015-03, Vol.117, p.585-591

Mazeau, Karim

2015

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Structural Micro-heterogeneities of Crystalline Iβ-cellulose

Cellulose (London), 2005-08, Vol.12 (4), p.339-349

Mazeau, Karim

2005

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The cellulose/lignin assembly assessed by molecular modeling. Part 2: seeking for evidence of organization of lignin molecules at the interface with cellulose

Plant physiology and biochemistry, 2005-03, Vol.43 (3), p.277-286

2005

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On the external morphology of native cellulose microfibrils

Carbohydrate polymers, 2011-02, Vol.84 (1), p.524-532

Mazeau, Karim

2011

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The cellulose/lignin assembly assessed by molecular modeling. Part 1: adsorption of a threo guaiacyl β-O-4 dimer onto a I β cellulose whisker

Plant physiology and biochemistry, 2005, Vol.43 (3), p.299-308

2005

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Cellulose Poly(Ethylene-co-vinyl Acetate) Nanocomposites Studied by Molecular Modeling and Mechanical Spectroscopy

Biomacromolecules, 2005-07, Vol.6 (4), p.2025-2031

2005

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Atomistic Modeling of the Adsorption of Benzophenone onto Cellulosic Surfaces

Langmuir, 2002-03, Vol.18 (5), p.1919-1927

2002

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Conformational analysis of xylan chains

Carbohydrate research, 2005-12, Vol.340 (18), p.2752-2760

2005

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Modelling of Congo red adsorption on the hydrophobic surface of cellulose using molecular dynamics

Cellulose (London), 2012-10, Vol.19 (5), p.1495-1506

2012

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The three-dimensional structures of the pectic polysaccharides

Plant physiology and biochemistry, 2000, Vol.38 (1), p.37-55

2000

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Theoretical and Experimental Studies on the Adsorption of Aromatic Compounds onto Cellulose

Langmuir, 2004-04, Vol.20 (8), p.3151-3158

2004

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The molecular basis of the adsorption of xylans on cellulose surface

Cellulose (London), 2012-04, Vol.19 (2), p.337-349

2012

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Conformational analysis of the exopolysaccharide from Burkholderia caribensis strain MWAP71: Impact on the interaction with soils

Biopolymers, 2003-08, Vol.69 (4), p.480-497

2003

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

Biomacromolecules, 2008-04, Vol.9 (4), p.1352-1354

2008

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Thermal Response in Crystalline Iβ Cellulose: A Molecular Dynamics Study

The journal of physical chemistry. B, 2007-08, Vol.111 (30), p.9138-9145

2007

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Molecular modeling of the structural and dynamical properties of secondary plant cell walls: influence of lignin chemistr

The journal of physical chemistry. B, 2012, p.4163-4174

2012

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Secondary Mechanical Relaxations in Amorphous Cellulose

Macromolecules, 1997-11, Vol.30 (22), p.6977-6984

1997

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Molecular Modeling of Syringyl and p-Hydroxyphenyl β-O-4 Dimers. Comparative Study of the Computed and Experimental Conformational Properties of Lignin β-O-4 Model Compounds

Journal of agricultural and food chemistry, 2003-01, Vol.51 (1), p.34-42

2003

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Overview on structural characterization of chitosan molecules in relation with their behavior in solution

Macromolecular symposia., 2001-03, Vol.168 (1), p.1-20

2001

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Atomic partial charges and one Lennard-Jones parameter crucial to model cellulose allomorphs

Cellulose (London), 2014, Vol.21 (4), p.2207-2217

2014

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Torsional Entropy at the Origin of the Reversible Temperature-Induced Phase Transition of Cellulose

Macromolecules, 2012-01, Vol.45 (1), p.362-368

2012

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The preferred conformations of the four oligomeric fragments of Rhamnogalacturonan II

Carbohydrate research, 1998-10, Vol.311 (4), p.203-217

1998

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Molecular modeling of the mobility of poly(allyl alcohol), PAA, and poly(vinyl alcohol), PVA

Polymer (Guilford), 2002-10, Vol.43 (21), p.5665-5677

2002

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Molecular Dynamics Simulations of Bulk Native Crystalline and Amorphous Structures of Cellulose

The xyloglucan-cellulose assembly at the atomic scale

The hygroscopic power of amorphous cellulose: A modeling study

Structural Micro-heterogeneities of Crystalline Iβ-cellulose

The cellulose/lignin assembly assessed by molecular modeling. Part 2: seeking for evidence of organization of lignin molecules at the interface with cellulose

On the external morphology of native cellulose microfibrils

The cellulose/lignin assembly assessed by molecular modeling. Part 1: adsorption of a threo guaiacyl β-O-4 dimer onto a I β cellulose whisker

Cellulose Poly(Ethylene-co-vinyl Acetate) Nanocomposites Studied by Molecular Modeling and Mechanical Spectroscopy

Atomistic Modeling of the Adsorption of Benzophenone onto Cellulosic Surfaces

Conformational analysis of xylan chains

Modelling of Congo red adsorption on the hydrophobic surface of cellulose using molecular dynamics

The three-dimensional structures of the pectic polysaccharides

Theoretical and Experimental Studies on the Adsorption of Aromatic Compounds onto Cellulose

The molecular basis of the adsorption of xylans on cellulose surface

Conformational analysis of the exopolysaccharide from Burkholderia caribensis strain MWAP71: Impact on the interaction with soils

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

Thermal Response in Crystalline Iβ Cellulose: A Molecular Dynamics Study

Molecular modeling of the structural and dynamical properties of secondary plant cell walls: influence of lignin chemistr

Secondary Mechanical Relaxations in Amorphous Cellulose

Molecular Modeling of Syringyl and p-Hydroxyphenyl β-O-4 Dimers. Comparative Study of the Computed and Experimental Conformational Properties of Lignin β-O-4 Model Compounds

Overview on structural characterization of chitosan molecules in relation with their behavior in solution

Atomic partial charges and one Lennard-Jones parameter crucial to model cellulose allomorphs

Torsional Entropy at the Origin of the Reversible Temperature-Induced Phase Transition of Cellulose

The preferred conformations of the four oligomeric fragments of Rhamnogalacturonan II

Molecular modeling of the mobility of poly(allyl alcohol), PAA, and poly(vinyl alcohol), PVA

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