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Investigation through molecular simulation of the potential of mean force resulting from protein-protein interactions into solution

Grant number: 13/01857-2
Support type:Scholarships abroad - Research Internship - Doctorate
Effective date (Start): September 01, 2013
Effective date (End): April 30, 2014
Field of knowledge:Engineering - Chemical Engineering
Principal Investigator:Adriano Rodrigues Azzoni
Grantee:Luís Fernando Mercier Franco
Supervisor abroad: Edward J. Maginn
Home Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Local de pesquisa : University of Notre Dame, United States  
Associated to the scholarship:11/22070-5 - Thermodynamics of protein solutions: experimental determination and modeling of protein-protein interactions, BP.DR

Abstract

This research project is part of a doctorship project that aims the model development to calculating the potential of mean force among protein molecules into solution with dissolved salts in order to achieve a better understanding of the protein-protein interactions and to describe its phase diagram with high accuracy. Specifically in the abroad internship, the efforts will be concentrated in performing molecular simulations as a tool for calculating the potential of mean force resulting from interactions among protein molecules into solution. This internship will be conducted at the professor Edward Maginn group in the University of Notre Dame, USA, which is specialized in computer simulations. (AU)