Competition among Li+, Na+, K+, and Rb+ monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and drude polarizable force fields

Journal of Physical Chemistry B

Volumn 119, Issue 12, 2015, Pages 4428-4440

  Savelyev, Alexey ^a   Mackerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC EMISSION SPECTROSCOPY; DNA; DNA SEQUENCES; EMISSION SPECTROSCOPY; ION EXCHANGE; IONS; LITHIUM; MOLECULAR DYNAMICS; OSMOSIS;

BULK ELECTROLYTES; COUNTERION CONDENSATION; INTERACTION ENERGIES; MOLECULAR DYNAMICS SIMULATIONS; MONOVALENT CATIONS; POLARIZABLE FORCE FIELD; QUANTITATIVE DATA; SIMULATION SYSTEMS;

BIOINFORMATICS;

ANION; CHLORIDE; DNA; GAS; LITHIUM; MONOVALENT CATION; POTASSIUM; RUBIDIUM; SODIUM; SOLUTION AND SOLUBILITY;

ATOMIC ABSORPTION SPECTROMETRY; BINDING COMPETITION; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; GAS; MOLECULAR DYNAMICS; OSMOTIC PRESSURE; SOLUTION AND SOLUBILITY;

ANIONS; BINDING, COMPETITIVE; CATIONS, MONOVALENT; CHLORIDES; DNA; GASES; LITHIUM; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; OSMOTIC PRESSURE; POTASSIUM; RUBIDIUM; SODIUM; SOLUTIONS; SPECTROPHOTOMETRY, ATOMIC;

EID: 84925944976     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b00683     Document Type: Article

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