That's me...a while ago!

Fernando Luís Barroso da Silva, Ph.D.

Position: Lecturer/Researcher
Address: (*) Department of Physics and Chemistry, 
Faculty of Pharmaceutical Sciences of Ribeirão Preto
University of São Paulo
Av. do cafe, s/no - Campus da USP 
14040-903   Ribeirão Preto, SP, BRAZIL
Phone: +55-16-3602 4219 (office)
+55-16-3602 4222 (secr.)
Fax: +55-16-3633 2960

(*) Previous at
Group of Biomolecular Physics
Faculty of Sciences - Unesp/Bauru (Brazil)
And before
Departments of Theoretical Chemistry/Biophysical Chemistry
Center for Chemistry and Chemical Engineering - Lund University (Sweden)

Research interests

Statistical mechanical simulations
Electrostatic interactions in biomolecules
Protein-ligand interactions

Brief research description

An essential aspect in the understanding, engineering and design of proteins is the correct prediction of the protein's electrostatic properties. Molecular modelling involves the numerical simulation and statistical mechanical treatment of biomolecular systems, which yields the ability to describe and control such properties in terms of a molecular view. These electrostatic interactions play an important role in the complex correlation between structure and biomolecular function, and understanding these interactions is necessary in order to successfully characterise the redox behaviour of proteins in solution. It is this redox behaviour that controls a great number of processes, including enzymatic catalysis, conformational changes, transport mechanisms, and the action of drugs. Inside this line of research, our general objective is to enhance the understanding of the molecular mechanisms involved in these processes. In order to achieve this, we are currently researching with three significant aims: (1). Methodological development of computational tools and simulation software for biomolecular systems; (2). Investigations of generic aspects of ionic strength and proton effects in the stability, structure and function of biological macromolecules in solution and; (3). Application of this technology to functionally interesting systems (eg, Calcium-binding proteins, hemoglobin and protein-ligand interactions). Molecular modelling is vitally important in the area of drug discovery, offering a rational approach to the discovery of therapeutic agents.

Last modification 020510

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