Molecular simulations of hevein/(GlcNAc)3 complex with weakened OH/O and CH/π hydrogen bonds: Implications for their role in complex stabilization

Carbohydrate Research

Volumn 408, Issue , 2015, Pages 1-7

  Mareška, Václav ^a   Tvaroška, Igor ^b   Králová, Blanka ^a   Spiwok, Vojtěch ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b Institute of Chemistry   (Slovakia)

Author keywords

Carbohydrate aromatic interactions; CH interactions; Hevein domain; Hydrophobic effect; Molecular dynamics simulation

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; CARBOHYDRATES; COMPLEXATION; DISPERSIONS; HYDROPHOBICITY; MOLECULAR DYNAMICS; PROTEINS;

AROMATIC INTERACTIONS; CARBOHYDRATE RECOGNITION; COMPLEX STABILIZATION; DISPERSION INTERACTION; HEVEIN DOMAIN; HYDROPHOBIC EFFECT; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS;

HYDROGEN BONDS;

CARBOHYDRATE; HEVEIN; HYDROGEN; HYDROXYL GROUP; METHYL GROUP; OXYGEN; TRISACCHARIDE; TRYPTOPHAN; ANTIMICROBIAL CATIONIC PEPTIDE; PLANT LECTIN;

ARTICLE; CONFORMATIONAL TRANSITION; DIPOLE; DISPERSION; DISSOCIATION; HEVEA BRASILIENSIS; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN STABILITY; PROTEIN STRUCTURE; STATIC ELECTRICITY; BINDING SITE; CARBOHYDRATE ANALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METABOLISM;

ANTIMICROBIAL CATIONIC PEPTIDES; BINDING SITES; CARBOHYDRATE CONFORMATION; CARBOHYDRATE SEQUENCE; HYDROGEN; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PLANT LECTINS; TRISACCHARIDES;

EID: 84925443693     PISSN: 00086215     EISSN: 1873426X     Source Type: Journal    
DOI: 10.1016/j.carres.2015.02.012     Document Type: Article

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