A theoretical approach to the solvation of brassinosteroids

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 5, 2009, Pages 600-610

  Morera Boado, Cercis ^a   Alonso Becerra, Esther ^a   González Jonte, Raúl ^b   Montero Cabrera, Luis Alberto ^a   García de la Vega, José Manuel ^b  

^a UNIVERSITY OF HAVANA   (Cuba)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

Biological activity; Brassinosteroids; Density functional theory; Semiempirical calculations; Solvation

Indexed keywords

BIOACTIVITY; CHEMICAL BONDS; DESIGN FOR TESTABILITY; SOLVATION; STEROID HORMONES;

BRASSINOSTEROIDS; DFT/B3LYP CALCULATIONS; HAMILTONIAN CALCULATIONS; MOLECULAR ASSOCIATIONS; POLARIZABLE CONTINUUM METHODS; SEMI-EMPIRICAL CALCULATION; STRUCTURAL REQUIREMENTS; THEORETICAL APPROACH;

DENSITY FUNCTIONAL THEORY;

BRASSINOSTEROID; WATER;

ARTICLE; CHEMICAL STRUCTURE; ENTROPY; HYDROGEN BOND; MOLECULAR INTERACTION; POLARIZATION; PRIORITY JOURNAL; RECEPTOR BINDING; SOLVATION; THERMODYNAMICS;

EID: 57649200626     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.09.013     Document Type: Article

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