MOTIVATION: To investigate structure-function relationships, life sciences researchers usually retrieve and classify proteins with similar substructures into the same fold. A manually constructed database, SCOP, is believed to be highly accurate; however, it is labor intensive. Another known method, DALI, is also precise but computationally expensive. We have developed an efficient algorithm, namely, index-based protein substructure alignment (IPSA), for protein-fold classification. IPSA constructs a two-layer indexing tree to quickly retrieve similar substructures in proteins and suggests possible folds by aligning these substructures. RESULTS: Compared with known algorithms, such as DALI, CE, MultiProt and MAMMOTH, on a sample dataset of non-redundant proteins from SCOP v1.73, IPSA exhibits an efficiency improvement of 53.10, 16.87, 3.60 and 1.64 times speedup, respectively. Evaluated on three different datasets of non-redundant proteins from SCOP, average accuracy of IPSA is approximately equal to DALI and better than CE, MAMMOTH, MultiProt and SSM. With reliable accuracy and efficiency, this work will benefit the study of high-throughput protein structure-function relationships. AVAILABILITY: IPSA is publicly accessible at http://ProteinDBS.rnet.missouri.edu/IPSA.php

BACKGROUND: Domain experts manually construct the Structural Classification of Protein (SCOP) database to categorize and compare protein structures. Even though using the SCOP database is believed to be more reliable than classification results from other methods, it is labor intensive. To mimic human classification processes, we develop an automatic SCOP fold classification system to assign possible known SCOP folds and recognize novel folds for newly-discovered proteins. RESULTS: With a sufficient amount of ground truth data, our system is able to assign the known folds for newly-discovered proteins in the latest SCOP v1.69 release with 92.17% accuracy. Our system also recognizes the novel folds with 89.27% accuracy using 10 fold cross validation. The average response time for proteins with 500 and 1409 amino acids to complete the classification process is 4.1 and 17.4 seconds, respectively. By comparison with several structural alignment algorithms, our approach outperforms previous methods on both the classification accuracy and efficiency. CONCLUSION: In this paper, we build an advanced, non-parametric classifier to accelerate the manual classification processes of SCOP. With satisfactory ground truth data from the SCOP database, our approach identifies relevant domain knowledge and yields reasonably accurate classifications. Our system is publicly accessible at http://ProteinDBS.rnet.missouri.edu/E-Predict.php.

Indexing protein tertiary structures has been shown to provide a scalable solution for structure-to-structure comparisons in large protein structure retrieval systems. To conduct similarity searches against 53,356 polypeptide chains in a database with real-time responses, two critical issues must be addressed, information extraction and suitable indexing. In this paper, we apply computer vision techniques to extract the predominant information encoded in each 2D distance matrix, generated from 3D coordinates of protein chains. Distance matrices are capable of representing specific protein structural topologies, and similar proteins will generate similar matrices. Once meaningful features are extracted from distance images, an advanced indexing structure, Entropy Balanced Statistical (EBS) k-d tree, can be utilized to index the multidimensional data. With a limited amount of training data from domain experts, namely structural classification of a subset of available protein chains, we apply various techniques in the pattern recognition field to determine clusters of proteins in the multi-dimensional feature space. Our system is able to recall search results in a ranked order from the protein database in seconds, exhibiting a reasonably high degree of precision.

Indexing protein structures has been shown to provide a scalable solution for structure-to-structure comparisons in large protein structure retrieval systems. To conduct similarity searches against 46,075 polypeptide chains in a database with real-time responses, two critical issues must be addressed, information extraction and suitable indexing. In this paper, we apply computer vision techniques to extract the predominant information encoded in each 2D distance matrix, generated from 3D coordinates of protein chains. Distance matrices are capable of representing specific protein structural topologies, and similar proteins will generate similar matrices. Once meaningful features are extracted from distance images, an advanced indexing structure, entropy balanced statistical (EBS) k-d tree, can be utilized to index the multidimensional data. With a limited amount of training data from domain experts, namely structural classification of a subset of available protein chains, we apply various techniques in the pattern recognition field to determine clusters of proteins in the multi-dimensional feature space. Our system is able to recall search results in a ranked order from the protein database in seconds, exhibiting a reasonably high degree of precision.

The multi-level hierarchical network architecture has been shown to be a scalable and cost efficient solution for large video-on-demand (VOD) systems. The predominant operation cost of a hierarchical VOD system consists of network transmission cost and video storage cost. How to minimize the operation cost under several operating constraints is an important issue. In this paper, we proposed several fast video placement algorithms that can achieve near optimal operating cost. We have also proposed a time-variant arrival traffic model with arrival rate which matches the statistics gathered from commercial systems.