Computational Prediction of Structure and Catalytic Activity of New Organic Superacids

A Unity through Knowledge Fund project for young researchers and professionals

co-financed by the APO Ltd. Zagreb


The present project is jointly financed by the Unity through knowledge Fund (UKF) of the Ministry of Science, Education and Sports of the Republic of Croatia and the APO Environmental Protection Services Ltd. from Zagreb, Croatia.

Total financial value of the project is 35.000 EUR for a period of two years. More precisely, the project lasts from the 01 September 2008 until the 31 August 2010. Of the mentioned money, 80%, or 28.000 EUR is provided by UKF, whereas the remaining 20%, or 7.000 EUR is cofinanced by the APO Ltd.

This project was granted after UKF’s very first call for 3A proposals “My First Research Topic” Grant under the Young Researchers and Professionals Program in 2008 and it was one of only 12 approved proposals out of 88 projects submitted to UKF at that time.



Scientific problems like the acidity and the corresponding basicity of molecules, proton transfer
reactions and the reactivity in solution belong to the most fundamental topics in chemistry and
biochemistry. Because of that, it is necessary to continue with this line of research even after
the termination of the current project.

To assure continuation of  the work on these interesting topics Dr. Robert Vianello received
funds from the European Commission through its call for FP7 Marie Curie Intra
Fellowships for Career Development
FP7PEOPLE2009IEF. His project proposal entitled “Computational Studies of Proton Dynamics in Hydrogen Bonded Systems and Enzymes” (IEF255038 CoSProDyn) was selected for financing as one of the 575 projects approved that year by the European Commission out of the 2.398 project proposals submitted to this call.




During 18 months of this project duration, starting from October 2010, Dr. Vianello will be working in the Laboratory for Biocomputing and Bioinformatics at the National Institute of Chemistry in Ljubljana, Slovenia under the supervision of Assist. Prof. Janez Mavri.

Dr. Vianello will primarily be focused on research topics aimed at improving the understanding of the biocatalysis and receptor triggering by studying the quantum nature of the proton dynamics in proteins. This work will be oriented towards three particular biological systems making use of the state–of–theart methods of computational biochemistry.


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