Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Palomba, Damián"'
Publikováno v:
In Chemometrics and Intelligent Laboratory Systems 15 December 2014 139:121-131
Publikováno v:
In Journal of Molecular Graphics and Modelling September 2012 38:137-147
Autor:
Palomba, Damián1,2 (AUTHOR) dpalomba@plapiqui.edu.ar, Martínez, María J.2 (AUTHOR) mjma@cs.uns.edu.ar, Ponzoni, Ignacio1,2 (AUTHOR) ip@cs.uns.edu.ar, Díaz, Mónica F.1,2 (AUTHOR) mdiaz@plapiqui.edu.ar, Vazquez, Gustavo E.2 (AUTHOR) gev@cs.uns.edu.ar, Soto, Axel J.3 (AUTHOR) soto@cs.dal.ca
Publikováno v:
Molecules. Dec2012, Vol. 17 Issue 12, p14937-14953. 17p. 2 Diagrams, 3 Charts, 3 Graphs.
Autor:
Palomba, Damián
El objetivo de esta Tesis es desarrollar métodos computacionales predictivos para propiedades específicas de compuestos de interés en la industria química, particularmente en la industria farmacéutica y de materiales poliméricos. Para desarroll
Externí odkaz:
http://repositoriodigital.uns.edu.ar/handle/123456789/3617
Akademický článek
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Akademický článek
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Autor:
Axel J. Soto, Damián Palomba, Mónica F. Díaz, Ignacio Ponzoni, Gustavo Vazquez, María Jimena Martínez
Publikováno v:
Molecules; Volume 17; Issue 12; Pages: 14937-14953
Molecules, Vol 17, Iss 12, Pp 14937-14953 (2012)
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Molecules
Molecules, Vol 17, Iss 12, Pp 14937-14953 (2012)
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Molecules
Volatile organic compounds (VOCs) are contained in a variety of chemicals that can be found in household products and may have undesirable effects on health. Thereby, it is important to model blood-to-liver partition coefficients (log Pliver) for VOC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4411a820f6e129976e5b1ab0a0f31868
https://doi.org/10.3390/molecules171214937
https://doi.org/10.3390/molecules171214937
Autor:
Claudio N. Cavasotto, Damián Palomba
With >800 members in humans, the G protein-coupled receptor (GPCR) super-family is the target for more than 30% of the marketed drugs. The recent boom in GPCR crystallography has enabled the solution of ∼30 different GPCR structures, which boosted
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5eaef88c1e2f3261923bc0ca20ef5af3
http://pubs.rsc.org/en/content/articlelanding/2015/cc/c5cc05050b
http://pubs.rsc.org/en/content/articlelanding/2015/cc/c5cc05050b
In this paper we present results on prediction of elongation at break (target property) for a group of 77 amorphous polymers of high molecular weight. Novel descriptors are proposed in order to better represent structural features related to the targ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cd6f70d887aa7669429df57376054de
http://www.sciencedirect.com/science/article/pii/S0169743914001981
http://www.sciencedirect.com/science/article/pii/S0169743914001981
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
New descriptors of main and side chains for polymers with high molecular weight are presented in order to predict the glass-transition temperature (Tg) by means of Tg/M ratio. They were obtained by molecular modeling for the middle unit in a series o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0c877df8531988978284cacc8e735d4
https://www.sciencedirect.com/science/article/pii/S1093326312000435
https://www.sciencedirect.com/science/article/pii/S1093326312000435