CEQUINOR, Centro de Química Inorgánica (UNLP, CONICET, asociado a la CIC) Departamento de Química, Facultad de Ciencias Exactas Universidad Nacional de La Plata, La Plata, Argentina
The GQC is a research group based at CEQUINOR, a research centre jointly run by the Universidad Nacional de La Plata (UNLP) and the Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET). We work on electronic structure methods, molecular modelling and computer-aided drug design, and we develop and maintain our own scientific software and computing infrastructure.
We currently have three main areas of work.
Materials
- Small transition metal clusters.
- Adsorption of small molecules on metal surfaces.
Biological Systems
- Prediction of structural and spectroscopic properties.
- Virtual structural screening.
- Calculation of ligand/receptor binding energies.
Software Development
- Flexo - Conformational search of small molecules gqc.quimica.unlp.edu.ar/flexo.
- NaturAr - Natural products from Argentina naturar.quimica.unlp.edu.ar.
- Target Fisher - Target prediction gqc.quimica.unlp.edu.ar/targetfisher.
Contact
CEQUINOR, Blvd. 120 1465, (1900) La Plata, Buenos Aires, Argentina gqc@quimica.unlp.edu.ar
