Molecular dynamics simulations shed light on the enthalpic and entropic driving forces that govern the sequence specific recognition between netropsin and DNA

Journal of Physical Chemistry B

Volumn 114, Issue 34, 2010, Pages 11164-11172

  Dolenc, Jožica ^a,b   Gerster, Sarah ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; DNA; DNA SEQUENCES; FREE ENERGY; GENES; MOLECULAR DYNAMICS; THERMOANALYSIS;

BASE PAIRS; BINDING AFFINITIES; BINDING SEQUENCE; DNA COMPLEX; DRIVING FORCES; ENERGETIC ANALYSIS; ENTROPIC CONTRIBUTIONS; FREE-ENERGY CALCULATIONS; HYDROGEN BONDINGS; INTERACTION ENERGIES; MINOR GROOVES; MOLECULAR DYNAMICS SIMULATIONS; NEGATIVE INFLUENCE; NETROPSIN; RELATIVE BINDING; SEQUENCE-DEPENDENT; SOLVATION EFFECT; SPECIFIC RECOGNITION; THERMO DYNAMIC ANALYSIS;

BINDING ENERGY;

EID: 77956082532     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp100483f     Document Type: Article

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