Predicting RNA Duplex Dimerization Free-Energy Changes upon Mutations Using Molecular Dynamics Simulations

Journal of Physical Chemistry Letters

Volumn 6, Issue 21, 2015, Pages 4348-4351

  Sakuraba, Shun ^a   Asai, Kiyoshi ^a,b   Kameda, Tomoshi ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

free energy perturbation; Gibbs free energy; Hamiltonian replica exchange method; nucleic acid

Indexed keywords

DIMERIZATION; FREE ENERGY; GIBBS FREE ENERGY; MOLECULAR DYNAMICS; NUCLEIC ACIDS; RNA; STABILITY; THERMODYNAMIC PROPERTIES;

COMPARATIVE ANALYSIS; FREE ENERGY PERTURBATION; HAMILTONIAN REPLICA EXCHANGE METHODS; MEAN ABSOLUTE DEVIATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR FORCE FIELD; QUANTITATIVE AGREEMENT; STRUCTURAL STABILITIES;

BIOINFORMATICS;

RNA;

CHEMISTRY; DIMERIZATION; GENETICS; MOLECULAR DYNAMICS; MUTATION; THERMODYNAMICS;

DIMERIZATION; MOLECULAR DYNAMICS SIMULATION; MUTATION; RNA; THERMODYNAMICS;

EID: 84946541777     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01984     Document Type: Article

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