Improved Parameterization of Amine-Carboxylate and Amine-Phosphate Interactions for Molecular Dynamics Simulations Using the CHARMM and AMBER Force Fields

Journal of Chemical Theory and Computation

Volumn 12, Issue 1, 2016, Pages 430-443

  Yoo, Jejoong ^a   Aksimentiev, Aleksei ^a  

^a University of Illinois at Urbana Champaign   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; CARBOXYLIC ACID; DNA; LIPID BILAYER; PHOSPHATE;

CHEMISTRY; LIPID BILAYER; METABOLISM; MOLECULAR DYNAMICS; OSMOTIC PRESSURE;

AMINES; CARBOXYLIC ACIDS; DNA; LIPID BILAYERS; MOLECULAR DYNAMICS SIMULATION; OSMOTIC PRESSURE; PHOSPHATES;

EID: 84954438464     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00967     Document Type: Article

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