In silico prediction of the β-cyclodextrin complexation based on Monte Carlo method

International Journal of Pharmaceutics

Volumn 495, Issue 1, 2015, Pages 404-409

  Veselinović, Aleksandar M ^a   Veselinović, Jovana B ^a   Toropov, Andrey A ^b   Toropova, Alla P ^b   Nikolić, Goran M ^a  

^a UNIVERSITY OF NI   (Serbia)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

CORAL software; Monte Carlo method; QSAR QSPR; SMILES; Cyclodextrin

Indexed keywords

BETA CYCLODEXTRIN; BETA CYCLODEXTRIN DERIVATIVE;

ARTICLE; BINDING AFFINITY; CALIBRATION; COMPLEX FORMATION; MATHEMATICAL COMPUTING; MONTE CARLO METHOD; PREDICTIVE VALIDITY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; STATISTICAL ANALYSIS; VALIDATION STUDY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY;

BETA-CYCLODEXTRINS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 84941924009     PISSN: 03785173     EISSN: 18733476     Source Type: Journal    
DOI: 10.1016/j.ijpharm.2015.08.078     Document Type: Article

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