Flexibility and explicit solvent in molecular-dynamics-based docking of protein-glycosaminoglycan systems

Journal of Chemical Information and Modeling

Volumn 54, Issue 2, 2014, Pages 582-592

  Samsonov, Sergey A ^a   Gehrcke, Jan Philip ^a   Pisabarro, M Teresa ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATICS; LIGANDS; MOLECULAR MODELING; PROTEINS; SOLVENTS;

ELECTROSTATIC ATTRACTIONS; EXPLICIT SOLVENTS; EXTRACELLULAR MATRICES; GLYCOSAMINOGLYCANS; MOLECULAR DOCKING; NEGATIVELY CHARGED; RECEPTOR FLEXIBILITY; TARGETED MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS;

GLYCOSAMINOGLYCAN; LIGAND; PROTEIN; SOLVENT;

ARTICLE; CHEMISTRY; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; STATIC ELECTRICITY; THERMODYNAMICS;

GLYCOSAMINOGLYCANS; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEINS; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84894667941     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4006047     Document Type: Article

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