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Webový server pro predikci 3D struktury proteinu / Web Server for Protein Structure PredictionVotroubek, Lukáš January 2013 (has links)
This work deals with proteins, especially with their structure and kinds of tertiary, or 3D, structure prediction. Tertiary structure prediction is very important for function prediction of this vitally important substance. Bioinformatics do this prediction much more effective and faster, because classical methods of structure prediction directly from molecule are very expensive and slow. On the other hand they are much more exact. Objective of this thesis is to describe tertiary structure prediction methods, describe used tools and possibility of automatic communication with them. Next objective is describe implementation of server, that will serve to protein engineers for more effective finding of information about tertiary structure from more servers without requesting each of them separately. Results of testing will be described in this work too.
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Computational analysis of wide-angle light scattering from single cellsPilarski, Patrick Michael 11 1900 (has links)
The analysis of wide-angle cellular light scattering patterns is a challenging problem. Small changes to the organization, orientation, shape, and optical properties of scatterers and scattering populations can significantly alter their complex two-dimensional scattering signatures. Because of this, it is difficult to find methods that can identify medically relevant cellular properties while remaining robust to experimental noise and sample-to-sample differences. It is an important problem. Recent work has shown that changes to the internal structure of cells---specifically, the distribution and aggregation of organelles---can indicate the progression of a number of common disorders, ranging from cancer to neurodegenerative disease, and can also predict a patient's response to treatments like chemotherapy. However, there is no direct analytical solution to the inverse wide-angle cellular light scattering problem, and available simulation and interpretation methods either rely on restrictive cell models, or are too computationally demanding for routine use.
This dissertation addresses these challenges from a computational vantage point. First, it explores the theoretical limits and optical basis for wide-angle scattering pattern analysis. The result is a rapid new simulation method to generate realistic organelle scattering patterns without the need for computationally challenging or restrictive routines. Pattern analysis, image segmentation, machine learning, and iterative pattern classification methods are then used to identify novel relationships between wide-angle scattering patterns and the distribution of organelles (in this case mitochondria) within a cell. Importantly, this work shows that by parameterizing a scattering image it is possible to extract vital information about cell structure while remaining robust to changes in organelle concentration, effective size, and random placement. The result is a powerful collection of methods to simulate and interpret experimental light scattering signatures. This gives new insight into the theoretical basis for wide-angle cellular light scattering, and facilitates advances in real-time patient care, cell structure prediction, and cell morphology research.
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Computational analysis of wide-angle light scattering from single cellsPilarski, Patrick Michael Unknown Date
No description available.
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