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Fernando Luís Barroso da Silva, Ph.D. |
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| 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 |
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| Phone: | +55-16-3602 4219 (office)
+55-16-3602 4222 (secr.) |
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| Fax: | +55-16-3633 2960 | ||
| E-mail: | fernando@fcfrp.usp.br | ||
| WWW: | http://glu.fcfrp.usp.br/~fernando/ | ||
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(*) Previous at Group of Biomolecular Physics Faculty of Sciences - Unesp/Bauru (Brazil) E-mail: fernando@fc.unesp.br |
And before Departments of Theoretical Chemistry/Biophysical Chemistry Center for Chemistry and Chemical Engineering - Lund University (Sweden) E-mail: Fernando_Luis.Barroso_da_Silva@teokem.lu.se |
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
