| dc.creator | Gómez-Jeria,Juan S. | |
| dc.creator | Ojeda-Vergara,Mario | |
| dc.date | 2003-12-01 | |
| dc.date.accessioned | 2020-02-17T15:31:59Z | |
| dc.date.available | 2020-02-17T15:31:59Z | |
| dc.identifier | https://scielo.conicyt.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000400019 | |
| dc.identifier.uri | https://revistaschilenas.uchile.cl/handle/2250/129948 | |
| dc.description | 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 of a new substituent parameter that we call the Orientational Parameter. Its physical interpretation is that it gives an account of the substituent s influence on the percentage of molecules achieving the correct orientation to interact with the receptor. 	Finally we propose a universal way to calculate its values, avoiding the need of building long tables. A comparison between the old and new ways to calculate it is presented. We provide here an example to show shown its usefulness in QSAR studies | |
| dc.format | text/html | |
| dc.language | en | |
| dc.publisher | Sociedad Chilena de Química | |
| dc.relation | 10.4067/S0717-97072003000400019 | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.source | Journal of the Chilean Chemical Society v.48 n.4 2003 | |
| dc.title | PARAMETRIZATION OF THE ORIENTATIONAL EFFECTS IN THE DRUG-RECEPTOR INTERACTION | |
