Study of interaction energies between the PAMAM dendrimer and nonsteroidal anti-inflammatory drug using a distributed computational strategy and experimental analysis by ESI-MS/MS

Journal of Physical Chemistry B

Volumn 116, Issue 7, 2012, Pages 2031-2039

  Avila Salas, Fabián ^a   Sandoval, Claudia ^a   Caballero, Julio ^a   Guiñez Molinos, Sergio ^a   Santos, Leonardo S ^a   Cachau, Raúl E ^b   González Nilo, Fernando D ^a  

^a UNIVERSIDAD DE TALCA   (Chile)

^b NATIONAL CANCER INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; DISSOCIATION; DISTRIBUTED COMPUTER SYSTEMS; DRUG DELIVERY; DRUG PRODUCTS; QUANTUM THEORY;

COMPUTATIONAL STRATEGY; COMPUTATIONAL SYSTEM; DISSOCIATION CONSTANT; ENERGY CALCULATION; ESI-MS/MS; EULER ANGLES; EXPERIMENTAL ANALYSIS; FUNCTIONALIZED DENDRIMERS; IN-SILICO; INTERACTION ENERGIES; KINETIC METHOD; METROPOLIS MONTE CARLO ALGORITHMS; NON-STEROIDAL ANTI-INFLAMMATORY DRUGS; PAMAM DENDRIMER; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTUM MECHANICAL METHOD; QUANTUM-MECHANICAL STUDY; SEMI-EMPIRICAL; SMALL ORGANIC MOLECULES; STATISTICAL CORRELATION; STRUCTURE-BASED;

DENDRIMERS;

EID: 84857396055     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2069122     Document Type: Article

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