Monte carlo studies of drug nucleation 1: Formation of crystalline clusters of bicalutamide in water

Journal of Physical Chemistry B

Volumn 115, Issue 12, 2011, Pages 3062-3072

  Persson, Rasmus ^a   Nordholm, Sture ^a   Perlovich, German ^b   Lindfors, Lennart ^c  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b INSTITUTE OF SOLUTION CHEMISTRY   (Russian Federation)

^c ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; DRUG INTERACTIONS; EXPERIMENTS; FREE ENERGY; HYDRATION; MONTE CARLO METHODS; NUCLEATION; SOLUBILITY; WATER VAPOR;

AQUEOUS SOLUBILITY; BICALUTAMIDE; BULK CRYSTALS; CLASSICAL NUCLEATION THEORY; CLUSTER ENERGY; CRYSTAL NUCLEATION; DRUG MOLECULES; DRUG SOLUBILITY; DRUG SOLUTIONS; ENTHALPY OF SUBLIMATION; FORCE FIELDS; FREE ENERGY OF HYDRATION; INTERFACIAL TENSIONS; METASTABILITIES; MONOCLINIC POLYMORPHS; MONTE CARLO SIMULATION; MONTE CARLO STUDY; RADIUS OF GYRATION; RESPONSE THEORY; WATER INTERACTIONS; WATER MODELS;

CRYSTAL STRUCTURE;

EID: 79953064525     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp111817h     Document Type: Article

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