Molecular dynamics simulations and MM - PBSA calculations of the lectin from snowdrop (Galanthus nivalis)

Journal of Molecular Modeling

Volumn 15, Issue 12, 2009, Pages 1501-1507

  Liu, Zhen ^a   Zhang, Yizheng ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

AMBER; Galanthus nivalis agglutinin (GNA); Lectin; Molecular dynamics simulations (MD); Molecular mechanics Poisson Boltzmann surface area (MM PBSA)

Indexed keywords

AGGLUTININ; LECTIN;

ARTICLE; BINDING SITE; CONTROLLED STUDY; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; GALANTHUS; GALANTHUS NIVALIS; HYDROGEN BOND; METHODOLOGY; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; NONHUMAN; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEIN SECONDARY STRUCTURE; SIMULATION;

CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; LIGANDS; MANNOSE-BINDING LECTINS; MANNOSIDES; MOLECULAR DYNAMICS SIMULATION; PLANT LECTINS; PROTEIN STRUCTURE, QUATERNARY; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

GALANTHUS; GALANTHUS NIVALIS;

EID: 70350362525     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0502-5     Document Type: Article

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