Molecular dynamics simulations of a double unit cell in a protein crystal: Volume relaxation at constant pressure and correlation of motions between the two unit cells

Proteins: Structure, Function and Genetics

Volumn 48, Issue 2, 2002, Pages 327-340

  Walser, Regula ^a   Hünenberger, Philippe H ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Constant pressure; Correlation in crystals; Molecular dynamics simulation; Ubiquitin

Indexed keywords

PROTEIN;

ARTICLE; CRYSTAL; DIPOLE; MOLECULAR DYNAMICS; PRESSURE; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; SIMULATION;

CHLORIDES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DIFFUSION; ELECTROSTATICS; KINETICS; MODELS, MOLECULAR; MOTION; PRESSURE; PROTEINS; UBIQUITIN;

EID: 0036681338     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10143     Document Type: Article

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