CHARMM force field parameterization of rosiglitazone

International Journal of Quantum Chemistry

Volumn 111, Issue 7-8, 2011, Pages 1346-1354

  Hansson, Anders ^a   Souza, Paulo C T ^a   Silveira, Rodrigo L ^a   Martínez, Leandro ^a   Skaf, Munir S ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

CHARMM parameterization; molecular dynamics; nuclear receptors; PPAR ; rosiglitazone; TZD

Indexed keywords

ANTIDIABETIC DRUG; ATOMIC CHARGE; CHARMM PARAMETERIZATION; DYNAMICAL BEHAVIORS; EXPERIMENTAL DATA; FORCE FIELD PARAMETERIZATION; INTERACTION POTENTIALS; ISOFORMS; MOLECULAR DYNAMICS SIMULATIONS; NUCLEAR RECEPTORS; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR; POTENTIAL MODEL; POTENTIAL PARAMETERS; ROSIGLITAZONE; SELECTIVE LIGANDS; THIAZOLIDINEDIONES; TZD;

COMPUTER SIMULATION; CYTOLOGY; DRUG INTERACTIONS; PARAMETERIZATION; TRANSCRIPTION FACTORS;

MOLECULAR DYNAMICS;

EID: 79953254752     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22638     Document Type: Article

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