Frederico F. Campos

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MOTIVATION Receptor-ligand interactions are a central phenomenon in most biological systems. They are characterized by molecular recognition, a complex process mainly driven by physicochemical and structural properties of both receptor and ligand. Understanding and predicting these interactions are major steps towards protein ligand prediction, target(More)
The exponents method for calculating the concentrations of species in multimetal-multiligand systems is introduced. This method uses the NewtonRaphson method with restricted step iteration, which guarantees a monotonically decreasing objective function. Variable transformation and scaling are performed to avoid underflows and overflows during the(More)
de iterações entre o problema mestre e as partes. O uso de Algoritmos de Pontos Interiores, uma classe de métodos desenvolvida a partir do trabalho de Karmar-kar [Kar84], tem apresentado avanços substanciais para resolver problemas de grande porte [Zha96]. Alguns au-tores [KN91, Her92] conjecturam que o uso de pontos interiores para resolver, ou o problema(More)
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