Browsing by Author "Ojeda Vergara, Mario"
Now showing items 1-3 of 3
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Gómez Jeria, Juan; Ojeda Vergara, Mario (John Wiley & Sons, Inc., 1996-03-22)The binding of apomorphines AM. to D1 and D2 dopamine receptors is analyzed through a formal quantum structure]activity relationship method. The calculations were carried out at the CNDOr2 level of the molecular orbital ...
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Gómez Jeria, Juan; Ojeda Vergara, Mario (Sociedad Chilena de Química, 2003-09-22)We present a physically based treatment of the molecular rotational partition function for the case of the interaction of a macromolecular receptor with a small biologically active molecule. This leads to the proposal ...
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Gómez Jeria, Juan; Ojeda Vergara, Mario; Donoso Espinoza, Carlos (Kluwer Academic Publishers, 1995-01-10)A non-empirical Quantitative Structure-Activity Relationship (QSAR) method is employed to analyze the reversible complex formation during the reaction of phenyl-N-methylcarbamates with the enzyme acetylcholinesterase. ...