The Protein Data Bank (PDB; http://www.rcsb.org/pdb/ ) is the single worldwide archive of structural data of biological macromolecules. This paper describes the goals of the PDB, the systems in place for data deposition and access, how to obtain further information, and near-term plans for the future development of the resource.

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The Protein Data Bank

The increasing volume of data in modern business and science calls for more complex and sophisticated tools. Although advances in data mining technology have made extensive data collection much easier, it's still always evolving and there is a constant need for new techniques and tools that can help us transform this data into useful information and knowledge. Since the previous edition's publication, great advances have been made in the field of data mining. Not only does the third of edition of Data Mining: Concepts and Techniques continue the tradition of equipping you with an understanding and application of the theory and practice of discovering patterns hidden in large data sets, it also focuses on new, important topics in the field: data warehouses and data cube technology, mining stream, mining social networks, and mining spatial, multimedia and other complex data. Each chapter is a stand-alone guide to a critical topic, presenting proven algorithms and sound implementations ready to be used directly or with strategic modification against live data. This is the resource you need if you want to apply today's most powerful data mining techniques to meet real business challenges. * Presents dozens of algorithms and implementation examples, all in pseudo-code and suitable for use in real-world, large-scale data mining projects. * Addresses advanced topics such as mining object-relational databases, spatial databases, multimedia databases, time-series databases, text databases, the World Wide Web, and applications in several fields. *Provides a comprehensive, practical look at the concepts and techniques you need to get the most out of real business data

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Data Mining: Concepts and Techniques

Data Mining: Practical Machine Learning Tools and Techniques offers a thorough grounding in machine learning concepts as well as practical advice on applying machine learning tools and techniques in real-world data mining situations. This highly anticipated third edition of the most acclaimed work on data mining and machine learning will teach you everything you need to know about preparing inputs, interpreting outputs, evaluating results, and the algorithmic methods at the heart of successful data mining. Thorough updates reflect the technical changes and modernizations that have taken place in the field since the last edition, including new material on Data Transformations, Ensemble Learning, Massive Data Sets, Multi-instance Learning, plus a new version of the popular Weka machine learning software developed by the authors. Witten, Frank, and Hall include both tried-and-true techniques of today as well as methods at the leading edge of contemporary research. *Provides a thorough grounding in machine learning concepts as well as practical advice on applying the tools and techniques to your data mining projects *Offers concrete tips and techniques for performance improvement that work by transforming the input or output in machine learning methods *Includes downloadable Weka software toolkit, a collection of machine learning algorithms for data mining tasks-in an updated, interactive interface. Algorithms in toolkit cover: data pre-processing, classification, regression, clustering, association rules, visualization

Data Mining: Practical Machine Learning Tools and Techniques

Planning algorithms are impacting technical disciplines and industries around the world, including robotics, computer-aided design, manufacturing, computer graphics, aerospace applications, drug design, and protein folding. This coherent and comprehensive book unifies material from several sources, including robotics, control theory, artificial intelligence, and algorithms. The treatment is centered on robot motion planning but integrates material on planning in discrete spaces. A major part of the book is devoted to planning under uncertainty, including decision theory, Markov decision processes, and information spaces, which are the “configuration spaces” of all sensor-based planning problems. The last part of the book delves into planning under differential constraints that arise when automating the motions of virtually any mechanical system. Developed from courses taught by the author, the book is intended for students, engineers, and researchers in robotics, artificial intelligence, and control theory as well as computer graphics, algorithms, and computational biology.

Planning Algorithms: Introductory Material

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Convex Analysisの二,三の進展について

On the definition and the construction of pockets in macromolecules

We present algorithms for constructing a hierarchy of increasingly coa rse Morse complexes that decompose a piecewise linear 2-manifold While Morse complexes are defined only in the smooth category, we extend the construction to the piecewise linear category by ensuring structural integrity and simulating differentiability We then simplify Morse complexes by cancelling pairs of critical points in order of increasing persistence

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Hierarchical morse complexes for piecewise linear 2-manifolds

Frequently, data in scientific computing is in its abstract form a finite point set in space, and it is sometimes useful or required to compute what one might call the ``shape'' of the set. For that purpose, this paper introduces the formal notion of the family of $\alpha$-shapes of a finite point set in $\Real^3$. Each shape is a well-defined polytope, derived from the Delaunay triangulation of the point set, with a parameter $\alpha \in \Real$ controlling the desired level of detail. An algorithm is presented that constructs the entire family of shapes for a given set of size $n$ in time $O(n^2)$, worst case. A robust implementation of the algorithm is discussed and several applications in the area of scientific computing are mentioned.

Three-dimensional alpha shapes

Weighted alpha shapes

A sliver is a tetrahedron whose four vertices lie close to a plane and whose projection to that plane is a convex quadrilateral with no short edge. Slivers are notoriously common in 3-dimensional Delaunay triangulations even for well-spaced point sets. We show that if the Delaunay triangulation has the ratio property introduced in [15] then there is an assignment of weights so the weighted Delaunay triangulation contains no slivers. We also give an algorithm to compute such a weight assignment.

Herbert Edelsbrunner

Papers

On the definition and the construction of pockets in macromolecules

Hierarchical morse complexes for piecewise linear 2-manifolds

Three-dimensional alpha shapes

Weighted alpha shapes

Sliver exudation