Introduction to protein folding for physicists

The prediction of the three-dimensional native structure of proteins from the knowledge of their amino acid sequence, known as the protein folding problem, is one of the most important yet unsolved issues of modern science. Since the conformational behaviour of flexible molecules is nothing more than a complex physical problem, increasingly more physicists are moving into the study of protein systems, bringing with them powerful mathematical and computational tools, as well as the sharp intuition and deep images inherent to the physics discipline. This work attempts to facilitate the first steps of such a transition. In order to achieve this goal, we provide an exhaustive account of the reasons underlying the protein folding problem enormous relevance and summarize the present-day status of the methods aimed to solving it. We also provide an introduction to the particular structure of these biological heteropolymers, and we physically define the problem stating the assumptions behind this (commonly implicit) definition. Finally, we review the 'special flavor' of statistical mechanics that is typically used to study the astronomically large phase spaces of macromolecules. Throughout the whole work, much material that is found scattered in the literature has been put together here to improve comprehension and to serve as a handy reference.Comment: 53 pages, 18 figures, the figures are at a low resolution due to arXiv restrictions, for high-res figures, go to http://www.pabloechenique.co

Principled Design and Implementation of Steerable Detectors

We provide a complete pipeline for the detection of patterns of interest in an image. In our approach, the patterns are assumed to be adequately modeled by a known template, and are located at unknown position and orientation. We propose a continuous-domain additive image model, where the analyzed image is the sum of the template and an isotropic background signal with self-similar isotropic power-spectrum. The method is able to learn an optimal steerable filter fulfilling the SNR criterion based on one single template and background pair, that therefore strongly responds to the template, while optimally decoupling from the background model. The proposed filter then allows for a fast detection process, with the unknown orientation estimation through the use of steerability properties. In practice, the implementation requires to discretize the continuous-domain formulation on polar grids, which is performed using radial B-splines. We demonstrate the practical usefulness of our method on a variety of template approximation and pattern detection experiments