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Computational Chemistry and Biology Group

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The CCBG is a small group of scientists based at the School of Chemistry (University of Uruguay, Udelar, Mvdeo) under the direction of Prof. Oscar N. Ventura. The research interests range from the application of quantum chemistry and molecular mechanics and dynamics to small and medium size molecules, to the study of biological macromolecules and solid state chemistry. Parallel to the studies in computational chemistry and biology, the group research interests cover also the development of computational methods in bioinformatics and computer applications in nanobiotechnology.



 
Flexibility study of the WPD catalytic loop of the human protein PTP1B
A. Katz, A. Cousido-Siah, A. Mitschler, A. Podjarny, ICBP 2007, Montevideo, Uruguay, 27-31 August 2007 (Photo1, Photo2, Photo3, Photo4)
(
see the description of this project here)
THEORETICAL DETERMINATION OF THE EFFECT OF ANHARMONICITY ON THE VIBRATIONALLY AVERAGED GEOMETRY AND INFRARED SPECTRUM OF METHANOL MONOMER AND DIMER
M. Kieninger, R. E. Cachau, O. N. Ventura, JBCS, revision submitted, September 2007.

 

Transformation of Carbon Dioxide
Toshiyasu Sakakura, Jun-Chul Choi, and Hiroyuki Yasuda, Chem. Rev. 2007, 107, 2365-2387
A general review on all catalyzed and uncatalyzed reactions of CO2, includes sections on scCO2 and activation of oxygen by several transition metal complexes, including the Rhodium complex we are studying.
Activity of Rhodium-Catalyzed Hydroformylation: Added Insight and Predictions from Theory
Manuel Sparta, Knut J. Børve, and Vidar R. Jensen, J. Am. Chem. Soc. 2007, 129, 8487-8499

Today is


Computational Chemistry and
Biology Group
DETEMA
Facultad de Química
Universidad de la República
Avda. Gral. Flores 2124, C.C. 1157
11800 Montevideo, Uruguay
Tel. +(5982)-9248396
Fax. +(5982)-9241906
E-mail. onv@fq.edu.uy

Depto. de Teoría y Experimentación de la Estructura de la Materia y sus Aplicaciones
Facultad de Química
Facultad de Ciencias
Facultad de Ingeniería
Instituto de Investigaciones Biológicas Clemente Estable
Instituto Pasteur (Montevideo)
Programa de Desarrollo Tecnológico
Comisión Sectorial de Investigación Científica
Universidad de la República