Protein domain decomposition using spectral graph partitioning

نویسنده

  • Steffen Lang
چکیده

Proteins usually consist of several structural domains which play an important role in the classification and analysis of them. As the number of known protein structures grows at an exponential rate, a computer-aided domain decomposition of proteins becomes desirable. We present three different decomposition methods in this report. They are based on a graph representation of the proteins. These graphs are recursively decomposed into domains using the Fiedler vector. Our methods correctly decompose 89.1% and 90.9% of the 55 proteins in our test data set. We also show the problems with the incorrectly decomposed proteins in a detailed analysis.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Domain Decomposition for Particle Methods on the Sphere

We present an algorithm for eecient parallelization of particle methods when the domain is the surface of a sphere. Such applications typically arise when dealing with directional data. We propose a domain decomposition scheme based on geometric partitioning that provides domains suitable for practical implementation. This algorithm has the advantage of being fast enough to be applied dynamical...

متن کامل

Evaluation of Parallel Domain Decomposition Algorithms

In this talk we describe and evaluate several heuristics for the parallel decomposition of data into n processors. This problem is usually cast as a graph partitioning problem, requiring that each processor have equal amount of data, and that inter-processor communication be minimized. Since this problem is NP-complete, several heuristics have been developed: combinatorial, geometric, spectral,...

متن کامل

An Improved Spectral Graph Partitioning Algorithm for Mapping Parallel Computations

Efficient use of a distributed memory parallel computer requires that the computational load be balanced across processors in a way that minimizes interprocessor communication. A new domain mapping algorithm is presented that extends recent work in which ideas from spectral graph theory have been applied to this problem. The generalization of spectral graph bisection involves a novel use of mul...

متن کامل

Clustering Object-Oriented Software Systems using Spectral Graph Partitioning

In this paper we propose a novel method for identifying dense communities of classes (clusters) within an object-oriented software system. These clusters suggest the decomposition of the software system into smaller subsystems. Also, such clusters can imply relevance of functionality and thus be used as reusable components. To accomplish the identification we employ a technique from algebraic g...

متن کامل

Heuristics for Domain Decomposition

The domain decomposition method embodies large potentials for a parallelization of FEM methods. In this data-parallel approach, the domain of interest is partitioned into smaller subdomains, either before the mesh generation or afterwards (mesh partitioning). The subdomains are assigned to processors that calculate the corresponding part of the approximation. The mesh decomposition and assignme...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2007