Energy Minimization of Discrete Protein Titration State Models Using Graph Theory

Journal of Physical Chemistry B

Volumn 120, Issue 33, 2016, Pages 8354-8360

  Purvine, Emilie ^a   Monson, Kyle ^a   Jurrus, Elizabeth ^a   Star, Keith ^a   Baker, Nathan A ^a,b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b BROWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; AMINO ACIDS; COMPUTATION THEORY; FLOW GRAPHS; FREE ENERGY; IMAGE PROCESSING; IONIZATION POTENTIAL; OPTIMIZATION; POLYNOMIAL APPROXIMATION; PROTEINS; TITRATION; TREES (MATHEMATICS);

COMPUTATIONAL BIOPHYSICS; DISCRETE MATHEMATICS; ENERGY MINIMIZATION; INTERACTION ENERGIES; MACROMOLECULAR SYSTEMS; MINIMUM FREE ENERGIES; OPTIMIZATION PROBLEMS; POLYNOMIAL-TIME ALGORITHMS;

GRAPH THEORY;

PROTEIN;

ALGORITHM; CHEMISTRY; COMPUTER SIMULATION; METABOLISM; MOLECULAR MODEL; MONTE CARLO METHOD; PH;

ALGORITHMS; COMPUTER SIMULATION; HYDROGEN-ION CONCENTRATION; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEINS;

EID: 84984916636     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.6b02059     Document Type: Article

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