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Evaluation of Density Functionals, SCC-DFTB, Neglect of Diatomic Differential Overlap (NDDO) Models and Molecular Mechanics Methods for Prolyl-Leucyl-Glycinamide (PLG) and Structural Derivatives

Prolyl-leucyl-glycinamide (PLG) is a unique endogenous peptide that modulates dopamine receptor subtypes of the D(2) receptor family within the CNS. We seek to elucidate the structural basis and molecular mechanism by which PLG and its analogues modulate dopamine receptors, toward the development of...

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Main Authors: Wood, Richard L., Young-Dixon, Brendan J., Roy, Abhrajeet, Gay, Bryant C., Johnson, Rodney L., Amin, Elizabeth A.
Formato: Artigo
Idioma:Inglês
Publicado: 2010
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2855139/
https://ncbi.nlm.nih.gov/pubmed/20401321
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.theochem.2009.12.026
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