Molecular Dynamics Simulations of a Guaiacyl β-O-4 Lignin Model Compound: Examination of Intramolecular Hydrogen Bonding and Conformational Flexibility

Biopolymers

Volumn 73, Issue 3, 2004, Pages 301-315

  Besombes, Stéphane ^a   Mazeau, Karim ^a  

^a CENTRE DE RECHERCHES SUR LES MACROMOLÉCULES VÉGÉTALES CERMAV CNRS   (France)

Author keywords

O 4 model compound; Adiabatic map; Conformational flexibility; Hydrogen bonding; Lignin; Molecular dynamics

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC SOLVENTS; RIGIDITY; STATISTICAL METHODS;

MOLECULAR SIMULATIONS;

LIGNIN;

GUAIACYL BETA O 4 LIGNIN; LIGNIN; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONFORMATION; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULE; NUCLEAR MAGNETIC RESONANCE; RIGIDITY; VACUUM;

GUAIACOL; HYDROGEN BONDING; LIGNIN; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOLVENTS; THERMODYNAMICS; VACUUM;

EID: 1242314383     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.10587     Document Type: Article

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