Modeling ion-ion interaction in proteins: A molecular dynamics free energy calculation of the guanidinium-acetate association

Journal of Chemical Physics

Volumn 112, Issue 22, 2000, Pages 9691-9694

  Rozanska, Xavier ^a   Chipot, Christophe ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; COMPUTATIONAL METHODS; ELECTROSTATICS; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NEGATIVE IONS; POSITIVE IONS;

ACETATE; COULOMB ELECTROSTATIC INTERACTIONS; EWALD LATTICE SUMMATION; GENERALIZED REACTION FIELD (GRF) CORRECTION; GUANIDINIUM; SPHERICAL TRUNCATION;

PROTEINS;

EID: 0033726550     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481604     Document Type: Article

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