Force field parameters for 3-nitrotyrosine and 6-nitrotryptophan

Bulletin of the Korean Chemical Society

Volumn 31, Issue 9, 2010, Pages 2581-2587

  Myung, Yoochan ^a   Han, Sanghwa ^a  

^a Kangwon National University   (South Korea)

Author keywords

Force field; Molecular dynamics simulation; Molecular mechanics; Nitrotryptophan; Nitrotyrosine

Indexed keywords

3-NITROTYROSINE; 3D STRUCTURE; AMBER FORCE-FIELD; ATOMIC CHARGE; CURRENT PARAMETERS; ELECTROSTATIC POTENTIALS; ENERGY MINIMIZATION; FORCE CONSTANTS; FORCE FIELD PARAMETERS; FORCE FIELDS; GEOMETRY OPTIMIZATION; IN-CELL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; MOLECULAR MECHANICALS; MOLECULAR MECHANICS PARAMETERS; NITRO GROUP; NITROTRYPTOPHAN; NITROTYROSINE; OPTIMIZED STRUCTURES; PROTEIN NITRATION; QUANTUM MECHANICAL; STRUCTURAL PERTURBATION; THIOREDOXINS; TORSIONAL ENERGIES; TORSIONAL FORCES; TRI-PEPTIDES; TRIPEPTIDE; TRYPTOPHAN RESIDUES;

AMBER; AMINO ACIDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NITRATION; OPTIMIZATION; PHOSPHATASES; PROTEINS; QUANTUM THEORY; TRANSPORT PROPERTIES;

DYNAMICS;

EID: 77957093123     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2010.31.9.2581     Document Type: Article

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