Thermodynamics of protein solutions: experimental determination and modeling of protein-protein interactions

• Grant number: 11/22070-5
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: March 01, 2012
• End date: October 31, 2015
• Field of knowledge: Engineering - Chemical Engineering
• Principal Investigator: Pedro de Alcântara Pessôa Filho
• Grantee: Luís Fernando Mercier Franco
• Host Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Associated scholarship(s): 13/01857-2 - Investigation through molecular simulation of the potential of mean force resulting from protein-protein interactions into solution, BE.EP.DR

Abstract

This doctorate project aims to develop models for calculating the potential of mean force between protein molecules into aqueous solution with dissolved salts in order of to gain a better understanding about the protein-protein interactions and describe their phase diagram more accurately. It is also proposed a new methodology to the validation of those models through the experimental determination of the radial distribution function and the execution of molecular simulation to deepen understanding of the phenomena involved in the phase equilibrium of these systems.

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

MERCIER FRANCO, LUIS FERNANDO; PINTO DE OLIVEIRA, CRISTIANO LUIS; PESSOA FILHO, PEDRO DE ALCANTARA. Thermodynamics of protein aqueous solutions: From the structure factor to the osmotic pressure. AICHE JOURNAL, v. 61, n. 9, p. 2871-2880, SEP 2015. (11/22070-5)

MERCIER FRANCO, LUIS FERNANDO; MATTEDI, SILVANA; PESSOA FILHO, PEDRO DE ALCANTARA. A new approach for the thermodynamic modeling of the solubility of amino acids and beta-lactam compounds as a function of pH. Fluid Phase Equilibria, v. 354, p. 38-46, SEP 25 2013. (11/22070-5, 08/11232-1)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

FRANCO, Luís Fernando Mercier. Study on the thermodynamics of bovine serum albumin aqueous solutions: experiments, modeling and molecular simulations.. 2015. Doctoral Thesis - Universidade de São Paulo (USP). Escola Politécnica (EP/BC) São Paulo.