Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations

Journal of Computational Chemistry

Volumn 27, Issue 6, 2006, Pages 719-729

  Chocholoušová, Jana ^a   Feig, Michael ^a,b  

^a Michigan State University   (United States)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

Generalized Born formalisms; Molecular dynamic simulations; Molecular surface

Indexed keywords

ENERGY DRIFT; GENERALIZED BORN FORMALISMS; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR SURFACE; POISSON THEORY;

ENERGY CONSERVATION; NUCLEIC ACID SEQUENCES; PROTEINS; SURFACES;

MOLECULAR DYNAMICS;

DNA; PEPTIDE; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRICITY; MOLECULAR GENETICS; SURFACE PROPERTY;

COMPUTER SIMULATION; DNA; ELECTROSTATICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; PEPTIDES; PROTEINS; SURFACE PROPERTIES;

EID: 33645703426     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20387     Document Type: Article

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