Docking glycosaminoglycans to proteins: Analysis of solvent inclusion

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 5, 2011, Pages 477-489

  Samsonov, Sergey A ^a   Teyra, Joan ^a   Pisabarro, M Teresa ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Docking; Glycosaminoglycan protein interfaces; GRID; Interfacial solvent; Molecular dynamics; SCOWLP

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; POLYSACCHARIDES; PROTEINS; SULFUR COMPOUNDS;

AUTODOCK; DOCKING; EXPLICIT SOLVENTS; GLYCOSAMINOGLYCAN-PROTEIN INTERFACE; GLYCOSAMINOGLYCANS; GRID; INTERFACIAL SOLVENT; PROTEIN INTERFACES; SCOWLP; SOLVENT INCLUSIONS;

SOLVENTS;

CATHEPSIN; GLYCOSAMINOGLYCAN; HEPARAN SULFATE; HERMES ANTIGEN; INTERLEUKIN 8; PROTEIN; SOLVENT;

ARTICLE; AUTODOCK 3 DOCKING; COMPUTER INTERFACE; CONTROLLED STUDY; CRYSTAL STRUCTURE; EHITS DOCKING; FLEXX DOCKING; LIGAND BINDING; MOE DOCKING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN EXPRESSION; PROTEIN FUNCTION; PROTEIN PROTEIN INTERACTION; SOLVENT EFFECT;

EID: 80051688674     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9433-1     Document Type: Article

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