Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface

International Journal for Numerical Methods in Biomedical Engineering

Volumn 28, Issue 1, 2012, Pages 25-51

  Chen, Duan ^a   Chen, Zhan ^a   Wei, Guo Wei ^a,b  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b Michigan State University   (United States)

Author keywords

Kohn Sham equation; Laplace Beltrami equation; Multiscale model; Poisson Boltzmann equation; Proton transport; Quantum dynamics in continuum; Variational principle

Indexed keywords

KOHN SHAM EQUATIONS; LAPLACE-BELTRAMI EQUATION; MULTISCALE MODELS; POISSON-BOLTZMANN EQUATIONS; PROTON TRANSPORT; QUANTUM DYNAMICS; VARIATIONAL PRINCIPLES;

ALGORITHMS; BIOLOGY; BIOMEDICAL ENGINEERING; DENSITY FUNCTIONAL THEORY; DYNAMICS; FREE ENERGY; LAPLACE EQUATION; LAPLACE TRANSFORMS; POISSON EQUATION; PROTONS; QUANTUM CHEMISTRY; QUANTUM THEORY; SOLVENTS; VARIATIONAL TECHNIQUES; VISUALIZATION;

BOLTZMANN EQUATION;

ION CHANNEL; MEMBRANE PROTEIN; PROTON; SOLVENT;

ALGORITHM; CHEMICAL MODEL; CHEMISTRY; ENERGY TRANSFER; HUMAN; KINETICS; METABOLISM; PHYSIOLOGY; QUANTUM THEORY; THEORETICAL MODEL; TRANSPORT AT THE CELLULAR LEVEL;

ALGORITHMS; BIOLOGICAL TRANSPORT; ENERGY TRANSFER; HUMANS; ION CHANNELS; KINETICS; MEMBRANE PROTEINS; MODELS, CHEMICAL; MODELS, THEORETICAL; PROTONS; QUANTUM THEORY; SOLVENTS;

EID: 84856368586     PISSN: 20407939     EISSN: 20407947     Source Type: Journal    
DOI: 10.1002/cnm.1458     Document Type: Article

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