Effect of atom- and group-based truncations on biomolecules simulated with reaction-field electrostatics

Journal of Molecular Modeling

Volumn 17, Issue 11, 2011, Pages 2883-2893

  Ni, Boris ^a   Baumketner, Andrij ^a,b  

^a UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE   (United States)

^b INSTITUTE FOR CONDENSED MATTER PHYSICS   (Ukraine)

Author keywords

Electrostatic interactions; Group based and atom based truncation; Reaction field method; Simulations of proteins

Indexed keywords

DNA FRAGMENT; INTERLEUKIN 4; NUCLEIC ACID;

ARTICLE; ATOM; BIOMOLECULE; DNA HELIX; MOLECULAR DYNAMICS; MOLECULE; PH; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN STRUCTURE; REACTION FIELD ELECTROSTATIC; SIMULATION; STATIC ELECTRICITY;

DNA; HUMANS; HYDROGEN-ION CONCENTRATION; INTERLEUKIN-4; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACID CONFORMATION; PROTEIN CONFORMATION; PROTEIN UNFOLDING; SOLVENTS; STATIC ELECTRICITY; WATER;

EID: 80255140308     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-0975-x     Document Type: Article

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