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A fundamental question in protein science is what is the intrinsic propensity for an amino acid to be in an α-helix, β-sheet, or other backbone dihedral angle ( ϕ-ψ) conformation. This question has been hotly debated for many years because including all protein crystal structures from the protein database, increases the probabilities for α-helical(More)
To successfully design new proteins and understand the effects of mutations in natural proteins, we must understand the geometric and physicochemical principles underlying protein structure. The side chains of amino acids in peptides and proteins adopt specific dihedral angle combinations; however, we still do not have a fundamental quantitative(More)
Current processors incorporate wide and powerful vector units whose optimal exploitation is crucial to reach peak performance. However, present autovectorizing compilers fall short of that goal. Exploiting some vector instructions requires aggressive approaches that are not affordable in production compilers. Thus, advanced programmers pursuing the best(More)
Despite recent improvements in computational methods for protein design, we still lack a quantitative, predictive understanding of the intrinsic probabilities for amino acids to adopt particular side-chain conformations. Surprisingly, this question has remained unsettled for many years, in part because of inconsistent results from different experimental(More)
OpenMP has become the most frequently used programming model for shared memory parallel systems by virtue of its simplicity and scalability. Notwithstanding its easiness, the constant evolution of OpenMP brings forth difficulties when it comes to keep up with its capabilities. Compilers are key tools to anticipate bugs that may appear at runtime. Despite(More)
INTRODUCTION Some studies have suggested that potentiated remembrance of negative events on people with depressive disorders seems to be an important factor in the etiology, course and maintenance of depression. OBJECTIVE Evaluate the emotional memory in people with and without depressive symptomatology by means of an audio-visual test. METHODOLOGY 73(More)
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