3 resultados para Design structure matrix

em Boston University Digital Common


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The hybridization kinetics for a series of designed 25mer probe�target pairs having varying degrees of secondary structure have been measured by UV absorbance and surface plasmon resonance (SPR) spectroscopy in solution and on the surface, respectively. Kinetic rate constants derived from the resultant data decrease with increasing probe and target secondary structure similarly in both solution and surface environments. Specifically, addition of three intramolecular base pairs in the probe and target structure slow hybridization by a factor of two. For individual strands containing four or more intramolecular base pairs, hybridization cannot be described by a traditional two-state model in solution-phase nor on the surface. Surface hybridization rates are also 20- to 40-fold slower than solution-phase rates for identical sequences and conditions. These quantitative findings may have implications for the design of better biosensors, particularly those using probes with deliberate secondary structure.

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We propose a new characterization of protein structure based on the natural tetrahedral geometry of the β carbon and a new geometric measure of structural similarity, called visible volume. In our model, the side-chains are replaced by an ideal tetrahedron, the orientation of which is fixed with respect to the backbone and corresponds to the preferred rotamer directions. Visible volume is a measure of the non-occluded empty space surrounding each residue position after the side-chains have been removed. It is a robust, parameter-free, locally-computed quantity that accounts for many of the spatial constraints that are of relevance to the corresponding position in the native structure. When computing visible volume, we ignore the nature of both the residue observed at each site and the ones surrounding it. We focus instead on the space that, together, these residues could occupy. By doing so, we are able to quantify a new kind of invariance beyond the apparent variations in protein families, namely, the conservation of the physical space available at structurally equivalent positions for side-chain packing. Corresponding positions in native structures are likely to be of interest in protein structure prediction, protein design, and homology modeling. Visible volume is related to the degree of exposure of a residue position and to the actual rotamers in native proteins. In this article, we discuss the properties of this new measure, namely, its robustness with respect to both crystallographic uncertainties and naturally occurring variations in atomic coordinates, and the remarkable fact that it is essentially independent of the choice of the parameters used in calculating it. We also show how visible volume can be used to align protein structures, to identify structurally equivalent positions that are conserved in a family of proteins, and to single out positions in a protein that are likely to be of biological interest. These properties qualify visible volume as a powerful tool in a variety of applications, from the detailed analysis of protein structure to homology modeling, protein structural alignment, and the definition of better scoring functions for threading purposes.

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Transport protocols are an integral part of the inter-process communication (IPC) service used by application processes to communicate over the network infrastructure. With almost 30 years of research on transport, one would have hoped that we have a good handle on the problem. Unfortunately, that is not true. As the Internet continues to grow, new network technologies and new applications continue to emerge putting transport protocols in a never-ending flux as they are continuously adapted for these new environments. In this work, we propose a clean-slate transport architecture that renders all possible transport solutions as simply combinations of policies instantiated on a single common structure. We identify a minimal set of mechanisms that once instantiated with the appropriate policies allows any transport solution to be realized. Given our proposed architecture, we contend that there are no more transport protocols to design—only policies to specify. We implement our transport architecture in a declarative language, Network Datalog (NDlog), making the specification of different transport policies easy, compact, reusable, dynamically configurable and potentially verifiable. In NDlog, transport state is represented as database relations, state is updated/queried using database operations, and transport policies are specified using declarative rules. We identify limitations with NDlog that could potentially threaten the correctness of our specification. We propose several language extensions to NDlog that would significantly improve the programmability of transport policies.