The effect of bond length on the structure of dense bead???spring polymer melts, The Journal of Chemical Physics, vol.115, issue.6, p.2776, 2001. ,
DOI : 10.1063/1.1385791
Mesoscale mechanics of wood cell walls under axial strain, Soft Matter, vol.226, issue.19, 2013. ,
DOI : 10.1039/c3sm50183c
Interactions between wood polymers studied by dynamic FT-IR spectroscopy, Polymer, vol.42, issue.3, pp.963-969, 2001. ,
DOI : 10.1016/S0032-3861(00)00434-1
Phase Transition for a Hard Sphere System, The Journal of Chemical Physics, vol.27, issue.5, pp.1208-1209, 1957. ,
DOI : 10.1063/1.1743957
Studies in Molecular Dynamics. I. General Method, The Journal of Chemical Physics, vol.31, issue.2, pp.31-459, 1959. ,
DOI : 10.1063/1.1730376
Molecular mechanics. The MM3 force field for hydrocarbons. 1, Journal of the American Chemical Society, vol.111, issue.23, pp.111-8551, 1989. ,
DOI : 10.1021/ja00205a001
A molecular mechanics force field (MM3) for alcohols and ethers, Journal of the American Chemical Society, vol.112, issue.23, pp.112-8293, 1990. ,
DOI : 10.1021/ja00179a012
Predicting the molecular shape of polysaccharides from dynamic interactions with water, Glycobiology, vol.13, issue.4, pp.255-264, 2003. ,
DOI : 10.1093/glycob/cwg031
Molecular dynamics simulations at constant pressure and/or temperature, The Journal of Chemical Physics, vol.72, issue.4, p.2384, 1980. ,
DOI : 10.1063/1.439486
A Coarse-Grained Protein???Protein Potential Derived from an All-Atom Force Field, The Journal of Physical Chemistry B, vol.111, issue.31, pp.111-9390, 2007. ,
DOI : 10.1021/jp0727190
Molecular dynamics with coupling to an external bath, The Journal of Chemical Physics, vol.81, issue.8, p.3684, 1984. ,
DOI : 10.1063/1.448118
Thermal Response in Crystalline I?? Cellulose:?? A Molecular Dynamics Study, The Journal of Physical Chemistry B, vol.111, issue.30, pp.9138-9145, 2007. ,
DOI : 10.1021/jp072258i
Conformational statistics of pectin substances in solution by a Metropolis Monte Carlo study, Carbohydrate Polymers, vol.32, issue.3-4, pp.255-266, 1997. ,
DOI : 10.1016/S0144-8617(96)00161-0
URL : https://hal.archives-ouvertes.fr/hal-00309865
The Energy Landscape for the Interaction of the Family 1 Carbohydrate-Binding Module and the Cellulose Surface is Altered by Hydrolyzed Glycosidic Bonds, The Journal of Physical Chemistry B, vol.113, issue.31, pp.10994-11002, 2009. ,
DOI : 10.1021/jp904003z
Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesis, Journal of Molecular Graphics and Modelling, vol.22, issue.5, pp.441-450, 2004. ,
DOI : 10.1016/j.jmgm.2003.12.010
Transferability of coarse-grained force fields: The polymer case, The Journal of Chemical Physics, vol.128, issue.6, p.64904, 2008. ,
DOI : 10.1063/1.2829409
Molecular Modeling of the Structural and Dynamical Properties of Secondary Plant Cell Walls: Influence of Lignin Chemistry, The Journal of Physical Chemistry B, vol.116, issue.14, pp.4163-4174, 2012. ,
DOI : 10.1021/jp300395k
Wood structure and identification, 1979. ,
Coarse-graining the Self-assembly of ??-helical Protein Building Blocks, The Journal of Physical Chemistry B, vol.111, issue.50, pp.14006-14011, 2007. ,
DOI : 10.1021/jp075386f
Experimental evidence for a semi-flexible conformation for arabinoxylans, Carbohydrate Research, vol.330, issue.3, pp.365-372, 2001. ,
DOI : 10.1016/S0008-6215(00)00300-1
Modeling Crystal and Molecular Deformation in Regenerated Cellulose Fibers, Biomacromolecules, vol.6, issue.1, pp.507-513, 2005. ,
DOI : 10.1021/bm049409x
The Shape and Size Distribution of Crystalline Nanoparticles Prepared by Acid Hydrolysis of Native Cellulose, Biomacromolecules, vol.9, issue.1, pp.57-65, 2007. ,
DOI : 10.1021/bm700769p
URL : https://hal.archives-ouvertes.fr/hal-00303876
A molecular builder for carbohydrates: application to polysaccharides and complex carbohydrates, Biopolymers, issue.3, pp.39-417, 1996. ,
Interatomic Potentials from First-Principles Calculations: The Force-Matching Method, Europhysics Letters (EPL), vol.26, issue.8, pp.26-583, 1994. ,
DOI : 10.1209/0295-5075/26/8/005
The Nose???Hoover thermostat, The Journal of Chemical Physics, vol.83, issue.8, p.4069, 1985. ,
DOI : 10.1063/1.449071
Pathway heterogeneity in protein folding, Proteins: Structure, Function, and Bioinformatics, vol.92, issue.2, pp.293-310, 2002. ,
DOI : 10.1002/prot.10155
Polymers at interfaces, 1993. ,
DOI : 10.1007/978-94-011-2130-9
Statistical mechanics of chain molecules, 1969. ,
Introduction to Atomic Force Microscopy Simulation, 2010. ,
Exploration of disaccharide conformations by molecular mechanics, Journal of Molecular Structure: THEOCHEM, vol.286, pp.183-201, 1993. ,
DOI : 10.1016/0166-1280(93)87162-7
Mechanical properties of spruce wood cell walls by nanoindentation, Applied Physics A, vol.57, issue.8, pp.79-2069, 2004. ,
DOI : 10.1002/1097-4636(200110)57:1<108::AID-JBM1148>3.0.CO;2-6
Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism, Journal of Computational Chemistry, vol.81, issue.1, pp.76-81, 2012. ,
DOI : 10.1002/jcc.21945
Vectorized link cell Fortran code for molecular dynamics simulations for a large number of particles, Computer Physics Communications, vol.55, issue.3, pp.269-285, 1989. ,
DOI : 10.1016/0010-4655(89)90125-2
Molecular Dynamics Simulation: Elementary Methods, Computers in Physics, vol.7, issue.6, 1992. ,
DOI : 10.1063/1.4823234
Atomic force microscopy of cellulose microfibrils: comparison with transmission electron microscopy, Polymer, vol.33, issue.21, pp.33-4639, 1992. ,
DOI : 10.1016/0032-3861(92)90426-W
The xyloglucan???cellulose assembly at the atomic scale, Biopolymers, vol.31, issue.1, pp.59-73, 2006. ,
DOI : 10.1002/bip.20460
URL : https://hal.archives-ouvertes.fr/hal-00305816
A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions, Journal of Computational Chemistry, vol.18, issue.12, pp.1474-1486, 2004. ,
DOI : 10.1002/jcc.20071
Molecular Imaging ofHalocynthia papillosaCellulose, Journal of Structural Biology, vol.124, issue.1, pp.42-50, 1998. ,
DOI : 10.1006/jsbi.1998.4045
High-resolution electron microscopy on ultrathin sections of cellulose microfibrils generated by glomerulocytes inPolyzoa vesiculiphora, Protoplasma, vol.17, issue.1-2, pp.84-90, 1998. ,
DOI : 10.1007/BF01280590
The molecular basis of the adsorption of bacterial exopolysaccharides on montmorillonite mineral surface, Molecular Simulation, vol.40, issue.10-15, pp.10-15, 2008. ,
DOI : 10.1080/08927020802235714
URL : https://hal.archives-ouvertes.fr/hal-00515045
Controlled Assembly of Glucuronoxylans onto Cellulose Fibres, Holzforschung, vol.55, issue.5, pp.494-502, 2001. ,
DOI : 10.1515/HF.2001.081
Canonical dynamics: Equilibrium phase-space distributions, Physical Review A, vol.31, issue.3, pp.1695-1697, 1985. ,
DOI : 10.1103/PhysRevA.31.1695
Cellulose-Lignin Interactions (A Computational Study), Plant Physiology, vol.107, issue.3, pp.977-984, 1995. ,
DOI : 10.1104/pp.107.3.977
A Multiscale Coarse-Graining Method for Biomolecular Systems, The Journal of Physical Chemistry B, vol.109, issue.7, pp.2469-2473, 2005. ,
DOI : 10.1021/jp044629q
Structure Composition Formation du Bois, 1991. ,
Force-induced desorption and unzipping of semiflexible polymers. Physical review letters, p.58302, 2006. ,
Application of Two-Dimensional NMR Spectroscopy to Wood Lignin Structure Determination and Identification of Some Minor Structural Units of Hard- and Softwood Lignins, Journal of Agricultural and Food Chemistry, vol.42, issue.12, pp.42-2790, 1994. ,
DOI : 10.1021/jf00048a026
A coarse grain model for DNA, The Journal of Chemical Physics, vol.126, issue.8, p.84901, 2007. ,
DOI : 10.1063/1.2431804
Kraft pulp hornification: A closer look at the preventive effect gained by glucuronoxylan adsorption, Carbohydrate Polymers, vol.81, issue.2, pp.226-233, 2010. ,
DOI : 10.1016/j.carbpol.2010.02.023
Adsorption of arabinoxylan on cellulosic surfaces: influence of degree of substitution and substitution pattern on adsorption characteristics, Biomacromolecules, issue.7, pp.12-2633, 2011. ,
Computer simulations for macromolecular science. Macromolecular Chemistry and Physics, pp.257-264, 2003. ,
CP/MAS -NMR spectroscopy applied to structure and interaction studies on cellulose I, Solid State Nuclear Magnetic Resonance, vol.15, issue.1, pp.31-40, 1999. ,
DOI : 10.1016/S0926-2040(99)00044-2
Atomic force microscopy: Determination of unbinding force, off rate and energy barrier for protein???ligand interaction, Micron, vol.38, issue.5, pp.38-446, 2007. ,
DOI : 10.1016/j.micron.2006.06.014
On The Berendsen Thermostat, Molecular Simulation, vol.13, issue.3, pp.177-187, 1994. ,
DOI : 10.1063/1.439486
Simulations of the static and dynamic molecular conformations of xyloglucan. The role of the fucosylated sidechain in surface-specific sidechain folding, The Plant Journal, vol.200, issue.2, pp.195-215, 1991. ,
DOI : 10.1111/j.1365-313X.1991.00195.x
Developing coarse-grained force fields for cispoly (1, 4-butadiene) from the atomistic simulation, Polymer, issue.17, pp.46-6507, 2005. ,
Mechanism of Assembly of Xylan onto Cellulose Surfaces, Langmuir, vol.19, issue.12, pp.5072-5077, 2003. ,
DOI : 10.1021/la0341355
Martini coarse-grained force field: extension to carbohydrates, Journal of Chemical Theory and Computation, vol.5, issue.12, pp.3195-3210, 2009. ,
Slow dynamics in a model of the cellulose network, Polymer, vol.48, issue.16, pp.48-4849, 2007. ,
DOI : 10.1016/j.polymer.2007.06.021
Coarse Grained Model for Semiquantitative Lipid Simulations, The Journal of Physical Chemistry B, vol.108, issue.2, pp.750-760, 2004. ,
DOI : 10.1021/jp036508g
The MARTINI Force Field:?? Coarse Grained Model for Biomolecular Simulations, The Journal of Physical Chemistry B, vol.111, issue.27, pp.111-7812, 2007. ,
DOI : 10.1021/jp071097f
Nos?????Hoover chains: The canonical ensemble via continuous dynamics, The Journal of Chemical Physics, vol.97, issue.4, p.2635, 1992. ,
DOI : 10.1063/1.463940
Computer simulation studies of microcrystalline cellulose I??, Carbohydrate Research, vol.341, issue.1, pp.138-152, 2006. ,
DOI : 10.1016/j.carres.2005.09.028
Near-neighbor calculations using a modified cell-linked list method, Computer Physics Communications, vol.119, issue.2-3, pp.135-148, 1999. ,
DOI : 10.1016/S0010-4655(98)00203-3
A coarse-grained protein force field for folding and structure prediction, Proteins: Structure, Function, and Bioinformatics, vol.48, issue.2, pp.394-408, 2007. ,
DOI : 10.1002/prot.21505
Molecular Dynamics Simulations of Bulk Native Crystalline and Amorphous Structures of Cellulose, The Journal of Physical Chemistry B, vol.107, issue.10, pp.2394-2403, 2003. ,
DOI : 10.1021/jp0219395
URL : https://hal.archives-ouvertes.fr/hal-00306884
Conformational analysis of xylan chains, Carbohydrate Research, vol.340, issue.18, pp.2752-2760, 2005. ,
DOI : 10.1016/j.carres.2005.09.023
URL : https://hal.archives-ouvertes.fr/hal-00305918
Structural Micro-heterogeneities of Crystalline I??-cellulose, Cellulose, vol.40, issue.4, 2005. ,
DOI : 10.1007/s10570-005-2200-5
The molecular basis of the adsorption of xylans on cellulose surface, Cellulose, vol.346, issue.16, pp.337-349, 2012. ,
DOI : 10.1007/s10570-011-9643-7
URL : https://hal.archives-ouvertes.fr/hal-00720320
The Monte Carlo Method, Journal of the American Statistical Association, vol.44, issue.247, pp.335-341, 1949. ,
DOI : 10.1080/01621459.1949.10483310
Inter-chain and arrayed hydrogen bonds in ??-1,3-d-xylan triple helix predicted by quantum mechanics calculation, Carbohydrate Polymers, vol.66, issue.3, pp.352-356, 2006. ,
DOI : 10.1016/j.carbpol.2006.03.026
Aspect of Native and Redeposited Xylans at the Surface of Cellulose Microfibrils, Holzforschung, vol.40, issue.2, pp.85-91, 1986. ,
DOI : 10.1515/hfsg.1986.40.2.85
URL : https://hal.archives-ouvertes.fr/hal-00309948
The self-assembly of plant cell wall components by single-molecule force spectroscopy and Monte Carlo modelling, Nanotechnology, vol.15, issue.9, pp.15-1296, 2004. ,
DOI : 10.1088/0957-4484/15/9/031
Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back, ChemPhysChem, vol.3, issue.9, pp.754-769, 2002. ,
DOI : 10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-U
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models, The Journal of Chemical Physics, vol.128, issue.24, p.244114, 2008. ,
DOI : 10.1063/1.2938860
A molecular dynamics method for simulations in the canonical ensemble, Molecular Physics, vol.79, issue.2, pp.255-268, 1984. ,
DOI : 10.1080/00268978400101201
A unified formulation of the constant temperature molecular dynamics methods, The Journal of Chemical Physics, vol.81, issue.1, pp.511-519, 1984. ,
DOI : 10.1063/1.447334
Crystal Structure and Hydrogen-Bonding System in Cellulose I?? from Synchrotron X-ray and Neutron Fiber Diffraction, Journal of the American Chemical Society, vol.124, issue.31, pp.124-9074, 2002. ,
DOI : 10.1021/ja0257319
URL : https://hal.archives-ouvertes.fr/hal-00306874
Solvent effects on the conformational transition of a model polyalanine peptide, Protein Science, vol.31, issue.11, pp.13-2909, 2004. ,
DOI : 10.1110/ps.04701304
Phase Diagrams Describing Fibrillization by Polyalanine Peptides, Biophysical Journal, vol.87, issue.6, pp.4122-4134, 2004. ,
DOI : 10.1529/biophysj.104.047159
URL : http://doi.org/10.1529/biophysj.104.047159
Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides, Proceedings of the National Academy of Sciences, vol.101, issue.46, pp.16180-16185, 2004. ,
DOI : 10.1073/pnas.0407273101
Ultra-structural organisation of cell wall polymers in normal and tension wood of aspen revealed by polarisation FTIR microspectroscopy, Planta, vol.34, issue.6, pp.233-1277, 2011. ,
DOI : 10.1007/s00425-011-1384-1
A molecular mechanics force field for lignin, Journal of Computational Chemistry, vol.24, issue.3, pp.457-467, 2009. ,
DOI : 10.1002/jcc.21075
A database of three-dimensional structures of monosaccharides from molecular-mechanics calculations, Carbohydrate Research, vol.212, pp.253-259, 1991. ,
DOI : 10.1016/0008-6215(91)84062-J
Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations, The Journal of Chemical Physics, vol.117, issue.2, p.925, 2002. ,
DOI : 10.1063/1.1481859
Multiscale simulation of soft matter systems ??? from the atomistic to the coarse-grained level and back, Soft Matter, vol.26, issue.22, pp.4357-4366, 2009. ,
DOI : 10.1039/b911713j
Polymer Detachment Kinetics from Adsorbing Surface: Theory, Simulation and Similarity to Infiltration into Porous Medium, Macromolecules, vol.45, issue.10, pp.45-4371, 2012. ,
DOI : 10.1021/ma202671n
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations, Journal of the American Chemical Society, vol.114, issue.25, pp.114-10024, 1992. ,
DOI : 10.1021/ja00051a040
Charge equilibration for molecular dynamics simulations, The Journal of Physical Chemistry, vol.95, issue.8, pp.95-3358, 1991. ,
DOI : 10.1021/j100161a070
On the cross-sectional shape of cellulose crystallites in Valonia ventricosa, Carbohydrate Polymers, vol.2, issue.2, pp.123-134, 1982. ,
DOI : 10.1016/0144-8617(82)90058-3
Deriving effective mesoscale potentials from atomistic simulations, Journal of Computational Chemistry, vol.2, issue.13, pp.1624-1636, 2003. ,
DOI : 10.1002/jcc.10307
Mapping Atomistic to Coarse-Grained Polymer Models Using Automatic Simplex Optimization To Fit Structural Properties, Macromolecules, vol.34, issue.7, pp.34-2335, 2001. ,
DOI : 10.1021/ma001499k
The behaviour of surface adsorbed xylans during the beating of a bleached kraft pine pulp, Cellulose chemistry and technology, vol.17, issue.4, pp.379-386, 1983. ,
Single-molecule experiments in biological physics: methods and applications, Journal of Physics: Condensed Matter, vol.18, issue.32, p.531, 2006. ,
DOI : 10.1088/0953-8984/18/32/R01
Molecular simulation of fluids: theory, algorithms and object-orientation. Access Online via, 2002. ,
Micromechanical understanding of the cell-wall structure, Comptes Rendus Biologies, vol.327, issue.9-10, pp.873-880, 2004. ,
DOI : 10.1016/j.crvi.2004.03.010
Interaction between hemicelluloses, lignin and cellulose: structure-property relationships, Journal of pulp and paper science, vol.24, issue.3, pp.99-103, 1998. ,
Ultrastructural aspects of the acetylation of cellulose, Cellulose, vol.76, issue.Suppl., pp.111-127, 1995. ,
DOI : 10.1007/BF00816384
URL : https://hal.archives-ouvertes.fr/hal-00310744
Relative susceptibility of the I? and I? phases of cellulose towards acetylation, Cellulose, vol.7, issue.2, pp.119-132, 2000. ,
DOI : 10.1023/A:1009224008802
Etude de nouvelles stratégies de valorisation de mono et polysaccharides, Thèse de doctorat, 2002. ,
The Importance of Xylan for the Strength Properties of Spruce Kraft Pulp Fibres, Holzforschung, vol.55, issue.6, pp.55-639, 2001. ,
DOI : 10.1515/HF.2001.104
Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer, Journal of Chemical Theory and Computation, vol.5, issue.10, pp.2798-2808, 2009. ,
DOI : 10.1021/ct900292r
A Coarse Grain Model for Phospholipid Simulations, The Journal of Physical Chemistry B, vol.105, issue.19, pp.4464-4470, 2001. ,
DOI : 10.1021/jp010238p
The Stability of Cellulose: A Statistical Perspective from a Coarse-Grained Model of Hydrogen-Bond Networks, Biophysical Journal, vol.96, issue.8, pp.96-3032, 2009. ,
DOI : 10.1016/j.bpj.2008.12.3953
Toward a Systems Approach to Understanding Plant Cell Walls, Science, vol.306, issue.5705, pp.306-2206, 2004. ,
DOI : 10.1126/science.1102765
URL : http://hdl.handle.net/11858/00-001M-0000-0014-33FD-2
A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils, Journal of Chemical Theory and Computation, vol.7, issue.8, pp.2539-2548, 2011. ,
DOI : 10.1021/ct200181t
Orientation of the wood polymers in the cell wall of spruce wood fibres, Holzforschung, vol.63, issue.5, pp.497-503, 2009. ,
DOI : 10.1515/HF.2009.094
Mechanics of forced unfolding of proteins, Acta Biomaterialia, vol.5, issue.6, pp.1855-1863, 2009. ,
DOI : 10.1016/j.actbio.2009.01.038
Lattice images from ultrathin sections of cellulose microfibrils in the cell wall of Valonia macrophysa K???tz., Planta, vol.15, issue.2, pp.161-168, 1985. ,
DOI : 10.1007/BF00397343
Electron diffraction study on the two crystalline phases occurring in native cellulose from an algal cell wall, Macromolecules, vol.24, issue.14, pp.24-4168, 1991. ,
DOI : 10.1021/ma00014a033
URL : https://hal.archives-ouvertes.fr/hal-00310306
Estimation of the Elastic Modulus of Cellulose Crystal by Molecular Mechanics Simulation, Cellulose, vol.85, issue.5, pp.509-517, 2006. ,
DOI : 10.1007/s10570-006-9068-x
Comprehensive model of the lignified plant cell wall, Forage Cell Wall Structure and Digestibility, pp.247-270, 1993. ,
Nanostructural assembly of cellulose, hemicellulose, and lignin in the middle layer of secondary wall of ginkgo tracheid, Journal of Wood Science, vol.41, issue.6, pp.55-409, 2009. ,
DOI : 10.1007/s10086-009-1049-x
New Preparations of Lignin Polymer Models under Conditions that Approximate Cell Wall Lignification. II. Structural Characterization of the Models by Thioacidolysis, Holzforschung, vol.50, issue.1, pp.9-14, 1996. ,
DOI : 10.1515/hfsg.1996.50.1.9
New preparations of lignin polymer models under conditions that approximate cell wall lignification. I. Synthesis of novel lignin polymer models and their structural characterization by 13 C NMR, Holzforschung-International Journal of the Biology Chemistry, issue.6, pp.49-521, 1995. ,
New Preparations of Lignin Polymer Models under Conditions that Approximate Cell Wall Lignification. II. Structural Characterization of the Models by Thioacidolysis, Holzforschung, vol.50, issue.1, pp.9-14, 1996. ,
DOI : 10.1515/hfsg.1996.50.1.9
Coarse-grained models for proteins, Current Opinion in Structural Biology, vol.15, issue.2, pp.144-150, 2005. ,
DOI : 10.1016/j.sbi.2005.02.005
CP/MAS 13C NMR and electron diffraction study of bacterial cellulose structure affected by cell wall polysaccharides, Cellulose, vol.9, pp.3-4, 2002. ,
Simulation of polymer melts. I. Coarse-graining procedure for polycarbonates, Acta Polymerica, vol.49, issue.2-3, pp.49-61, 1998. ,
DOI : 10.1002/(SICI)1521-4044(199802)49:2/3<61::AID-APOL61>3.0.CO;2-V
Conformational folding of xyloglucan side chains in aqueous solution from molecular dynamics simulation, Carbohydrate Research, vol.340, issue.16, pp.2520-2532, 2005. ,
DOI : 10.1016/j.carres.2005.08.017
Characterization and supramolecular architecture of the cellulose-protein fibrils in the tunic of the sea peach (Halocynthia papillosa, Ascidiacea, Urochordata), Biology of the Cell, vol.76, issue.1, pp.87-96, 1992. ,
DOI : 10.1016/0248-4900(92)90198-A
A priori crystal structure prediction of native celluloses, Biopolymers, vol.31, issue.5, pp.342-354, 2000. ,
DOI : 10.1002/1097-0282(20001015)54:5<342::AID-BIP50>3.0.CO;2-O
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules, Physical Review, vol.159, issue.1, pp.98-103, 1967. ,
DOI : 10.1103/PhysRev.159.98
Molecular Dynamics Simulations of Polyglutamine Aggregation Using Solvent-Free Multiscale Coarse-Grained Models, The Journal of Physical Chemistry B, vol.114, issue.26, pp.8735-8743, 2010. ,
DOI : 10.1021/jp1007768
Preparation of Arabinoxylan and its Sorption on Bacterial Cellulose During Cultivation, Macromolecular symposia, pp.74-84, 2005. ,
DOI : 10.1002/masy.200551409
A Coarse-Grained Model for Molecular Dynamics Simulations of Native Cellulose, Journal of Chemical Theory and Computation, vol.7, issue.3, pp.753-760, 2011. ,
DOI : 10.1021/ct100489z
Polymer interface and adhesion, 1982. ,
Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse Grained Model, Chinese Journal of Chemical Physics, vol.25, issue.2, p.191, 2012. ,
DOI : 10.1088/1674-0068/25/02/191-198