RESUMO
The conventional local bifurcation theory (CBT) fails to present a complete characterization of the stability and general aspects of complex phenomena. After all, the CBT only explores the behavior of nonlinear dynamical systems in the neighborhood of their fixed points. Thus, this limitation imposes the necessity of non-trivial global techniques and lengthy numerical solutions. In this article, we present an attempt to overcome these problems by including the Fisher information theory in the study of bifurcations. Here, we investigate a Riemannian metrical structure of local and global bifurcations described in the context of dynamical systems. The introduced metric is based on the concept of information distance. We examine five contrasting models in detail: saddle-node, transcritical, supercritical pitchfork, subcritical pitchfork, and homoclinic bifurcations. We found that the metric imposes a curvature scalar R on the parameter space. Also, we discovered that R diverges to infinity while approaching bifurcation points. We demonstrate that the local stability conditions are recovered from the interpretations of the curvature R, while global stability is inferred from the character of the Fisher metric. The results are a clear improvement over those of the conventional theory.
RESUMO
Virtual screening docking-based approach has been employed in order to select novel HIV-1 integrase (IN) potential inhibitors in large databases. Toxicity, metabolism and drug-like properties have been analyzed for the most promising compounds, using computational chemistry techniques. Results were compared and discussed with that obtained for a known HIV-1 (IN) inhibitor reported in the literature.