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

• Grant number: 13/01857-2
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• Start date: September 01, 2013
• End date: April 30, 2014
• Field of knowledge: Engineering - Chemical Engineering
• Principal Investigator: Adriano Rodrigues Azzoni
• Grantee: Luís Fernando Mercier Franco
• Supervisor: Edward J. Maginn
• Host Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Institution abroad: 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)