Global and local Voronoi analysis of solvation shells of proteins

Journal of Chemical Physics

Volumn 133, Issue 8, 2010, Pages

  Neumayr, Gregor ^a   Rudas, Tibor ^a   Steinhauser, Othmar ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CALBINDIN; DELAUNAY; DIELECTRIC SCREENING; DONOR-ACCEPTOR PROPERTIES; EXPERIMENTAL VALUES; GEOMETRICAL PACKING; HYDRATION SHELL; INTERFACE SURFACES; MEAN RESIDENCE TIME; MOLECULAR DYNAMICS SIMULATIONS; NUCLEAR DENSITIES; ORIENTATIONAL ORDERS; PERIODIC ALGORITHM; PHOSPHOLIPASES; PROTEIN LEVEL; RADIAL DISTRIBUTION FUNCTIONS; RESIDUE LEVEL; RETARDATION FACTORS; SHELL DYNAMICS; SOLVATION SHELL; SOLVENT ACCESSIBLE SURFACE AREAS; STRUCTURE AND DYNAMICS; UBIQUITIN; VORONOI; VORONOI DECOMPOSITION; WATER MOLECULE;

DISTRIBUTION FUNCTIONS; MOLECULAR DYNAMICS; PROTEINS;

SHELLS (STRUCTURES);

CALBINDIN; CALCIUM; DIVALENT CATION; PHOSPHOLIPASE; SOLVENT; UBIQUITIN; WATER;

ALGORITHM; ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; STATIC ELECTRICITY;

ALGORITHMS; CALCIUM; CALCIUM-BINDING PROTEIN, VITAMIN D-DEPENDENT; CATIONS, DIVALENT; MOLECULAR DYNAMICS SIMULATION; PHOSPHOLIPASES; SOLVENTS; STATIC ELECTRICITY; UBIQUITIN; WATER;

EID: 77956321796     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3471383     Document Type: Article

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