Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field

Journal of Physical Chemistry B

Volumn 119, Issue 29, 2015, Pages 9401-9416

  Li, Hui ^a   Ngo, Van ^b   Da Silva, Mauricio Chagas ^b   Salahub, Dennis R ^b   Callahan, Karen ^a   Roux, Benoît ^a   Noskov, Sergei Yu ^b  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; CALCIUM; COMPUTATIONAL CHEMISTRY; METAL IONS; METALS; MOLECULAR DYNAMICS; PROTEINS;

COMPUTATIONALLY EFFICIENT; FUNDAMENTAL LIMITATIONS; ION-PROTEIN INTERACTIONS; MEMBRANE TRANSPORT PROTEINS; MICROSCOPIC INTERACTION; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE FORCE FIELD; SOLVATION FREE ENERGIES;

CALCULATIONS;

GAS; ION; PROTEIN; SOLVENT;

CHEMICAL MODEL; CHEMISTRY; GAS; THERMODYNAMICS;

GASES; IONS; MODELS, CHEMICAL; PROTEINS; SOLVENTS; THERMODYNAMICS;

EID: 84929599567     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp510560k     Document Type: Article

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