Multiscale molecular dynamics using the matched interface and boundary method

Journal of Computational Physics

Volumn 230, Issue 2, 2011, Pages 435-457

  Geng, Weihua ^a,c   Wei, G W ^a,b  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b Michigan State University   (United States)

^c UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Biomolecules; Implicit solvent model; Interface method; Matched interface and boundary; Molecular dynamics; Poisson Boltzmann equation

Indexed keywords

BOLTZMANN EQUATION; ELECTROSTATIC DEVICES; ELECTROSTATIC FORCE; MOLECULAR DYNAMICS; NUMERICAL METHODS; POISSON EQUATION; REACTION KINETICS; SOLVENTS; SURFACE REACTIONS;

BOUNDARY METHOD; DYNAMIC APPROACHES; GEOMETRIC SINGULARITY; IMPLICIT SOLVENT MODEL; INTERFACE METHOD; MATCHED INTERFACE AND BOUNDARY; MOLECULAR DYNAMICS METHODS; MULTISCALE MODELING; POISSON-BOLTZMANN; POISSON-BOLTZMANN EQUATIONS;

BIOMOLECULES;

EID: 78149414200     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2010.09.031     Document Type: Article

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