Pedro G. Pascutti

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This paper describes BioPAUÁ project first release of a portal for Molecular Dynamics (MD) using a computational grid environment. It unites MD simulations and analyses tools with grid technologies to provide support to biomolecular structures in silico experiments. BioPAUÁ Project goal is to offer a tool, as well the facility, for researches working in(More)
BACKGROUND Fasciola hepatica is the causative agent of fascioliasis, a disease affecting grazing animals, causing economic losses in global agriculture and currently being an important human zoonosis. Overuse of chemotherapeutics against fascioliasis has increased the populations of drug resistant parasites. F. hepatica cathepsin L3 is a protease that plays(More)
  • S Istrail, P Pevzner, M Waterman, Editorial Board, A Apostolico, S Brunak +131 others
  • 2008
(Brasília, Distrito Federal). The change from workshop to symposium reflects the increasing quality and interest behind this meeting. For BSB 2008, we had 41 submissions: 32 full papers and 9 extended abstracts , submitted to two tracks: the main track on Computational Biology and Bioinformatics, and the track Applications of Agent Technologies and(More)
During the last few years, computational simulations based on the atomic description of biological molecules have resulted in significant advances in the comprehension of biological processes. It is well known, however, that a molecular system may have a great number of conformations due to the large number of rotation of degrees of freedom around chemical(More)
The development of efficient and selective antimalariais remains a challenge for the pharmaceutical industry. The aspartic proteases plasmepsins, whose inhibition leads to parasite death, are classified as targets for the design of potent drugs. Combinatorial synthesis is currently being used to generate inhibitor libraries for these enzymes, and together(More)
BACKGROUND Cathepsin B (catB) is a promising target for anti-cancer drug design due to its implication in several steps of tumorigenesis. catB activity and inhibition are pH-dependent, making it difficult to identify efficient inhibitor candidates for clinical trials. In addition it is known that heparin binding stabilizes the enzyme in alkaline conditions.(More)
The prion protein (PrP) is implicated in the Transmissible Spongiform Encephalopathies (TSEs), which comprise a group of fatal neurodegenerative diseases affecting humans and other mammals. Conversion of cellular PrP (PrP(C)) into the scrapie form (PrP(Sc)) is the hallmark of TSEs. Once formed, PrP(Sc) aggregates and catalyzes PrP(C) misfolding into new(More)