Explicit-solvent molecular dynamics simulations of a DNA tetradecanucleotide duplex: Lattice-sum versus reaction-field electrostatics

Molecular Simulation

Volumn 34, Issue 5, 2008, Pages 491-499

  Kräutler, Vincent ^a   Hünenberger, Philippe H ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Computer simulation; DNA oligonucleotide; Electrostatic interactions; GROMOS force field; Molecular dynamics

Indexed keywords

ADDITION REACTIONS; ALKALI METALS; DISTRIBUTION FUNCTIONS; DNA; ELECTROSTATICS; FLOW INTERACTIONS; FLUIDS; GENES; MECHANICAL VARIABLES MEASUREMENT; MESH GENERATION; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; NANOFLUIDICS; NUCLEIC ACIDS; OFFSHORE OIL WELL PRODUCTION; ORGANIC ACIDS; QUANTUM CHEMISTRY; REACTION KINETICS; SODIUM; SOLVENTS; WATER RECYCLING; WATER TREATMENT;

BASE PAIRINGS; COMPUTATIONAL BOX; CUTOFF DISTANCE; DNA CONFORMATIONS; DOUBLE HELICAL; ELECTROSTATIC INTERACTIONS; FORCE FIELD (FF); IN ORDER; LATTICE SUM (LS); PARTICLE PARTICLE PARTICLE MESH (P3M); PHOSPHATE GROUPS; RADIAL DISTRIBUTION FUNCTION (RDF); REACTION-FIELD (RF); SHAPE AND SIZE; SIMPLE-POINT-CHARGE (SPC); SODIUM COUNTERIONS; SOLVENT MOLECULAR; STRUCTURE AND DYNAMICS; TIME SCALING; WATER MODELING;

DYNAMICS;

EID: 45949090963     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020701783566     Document Type: Article

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