Explicit treatment of water molecules in data-driven protein-protein docking: The solvated HADDOCKing approach

Methods in Molecular Biology

Volumn 819, Issue , 2012, Pages 355-374

  Kastritis, Panagiotis L ^a   Van Dijk, Aalt D J ^b   Bonvin, Alexandre M J J ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

^b WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

Explicit model; HADDOCK; Monte carlo; Protein complexes; Protein protein docking; Solvated docking; Solvation shell; Structure prediction

Indexed keywords

AMINO ACID; BACILLUS AMYLOLIQUEFACIENS RIBONUCLEASE; BACTERIAL PROTEIN; BARSTAR PROTEIN, BACILLUS AMYLOLIQUEFACIENS; PROTEIN; RIBONUCLEASE; SOLVENT; WATER;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; METABOLISM; METHODOLOGY; MONTE CARLO METHOD; PROTEIN BINDING; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

AMINO ACIDS; BACTERIAL PROTEINS; COMPUTATIONAL BIOLOGY; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEIN BINDING; PROTEINS; RIBONUCLEASES; SOFTWARE; SOLUTIONS; SOLVENTS; THERMODYNAMICS; WATER;

EID: 84855932280     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-465-0_22     Document Type: Article

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