Search results for: Protein Algebra
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 490

Search results for: Protein Algebra

490 An Algebra for Protein Structure Data

Authors: Yanchao Wang, Rajshekhar Sunderraman

Abstract:

This paper presents an algebraic approach to optimize queries in domain-specific database management system for protein structure data. The approach involves the introduction of several protein structure specific algebraic operators to query the complex data stored in an object-oriented database system. The Protein Algebra provides an extensible set of high-level Genomic Data Types and Protein Data Types along with a comprehensive collection of appropriate genomic and protein functions. The paper also presents a query translator that converts high-level query specifications in algebra into low-level query specifications in Protein-QL, a query language designed to query protein structure data. The query transformation process uses a Protein Ontology that serves the purpose of a dictionary.

Keywords: Domain-Specific Data Management, Protein Algebra, Protein Ontology, Protein Structure Data.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1491
489 On the Invariant Uniform Roe Algebra as Crossed Product

Authors: Kankeyanathan Kannan

Abstract:

The uniform Roe C*-algebra (also called uniform translation)C^*- algebra provides a link between coarse geometry and C^*- algebra theory. The uniform Roe algebra has a great importance in geometry, topology and analysis. We consider some of the elementary concepts associated with coarse spaces. 

Keywords: Invariant Approximation Property, Uniform Roe algebras.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1688
488 Explicit Chain Homotopic Function to Compute Hochschild Homology of the Polynomial Algebra

Authors: Z. Altawallbeh

Abstract:

In this paper, an explicit homotopic function is constructed to compute the Hochschild homology of a finite dimensional free k-module V. Because the polynomial algebra is of course fundamental in the computation of the Hochschild homology HH and the cyclic homology CH of commutative algebras, we concentrate our work to compute HH of the polynomial algebra, by providing certain homotopic function.

Keywords: Exterior algebra, free resolution, free and projective modules, Hochschild homology, homotopic function, symmetric algebra.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1464
487 Deduction of Fuzzy Autocatalytic Set to Omega Algebra and Transformation Semigroup

Authors: Liew Siaw Yee, Tahir Ahmad

Abstract:

In this paper, the Fuzzy Autocatalytic Set (FACS) is composed into Omega Algebra by embedding the membership value of fuzzy edge connectivity using the property of transitive affinity. Then, the Omega Algebra of FACS is a transformation semigroup which is a special class of semigroup is shown.

Keywords: Fuzzy autocatalytic set, omega algebra, semigroup, transformation semigroup.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1224
486 How are Equalities Defined, Strong or Weak on a Multiple Algebra?

Authors: Mona Taheri

Abstract:

For the purpose of finding the quotient structure of multiple algebras such as groups, Abelian groups and rings, we will state concepts of ( strong or weak ) equalities on multiple algebras, which will lead us to research on how ( strong or weak) are equalities defined on a multiple algebra over the quotients obtained from it. In order to find a quotient structure of multiple algebras such as groups, Abelian groups and loops, a part of this article has been allocated to the concepts of equalities (strong and weak) of the defined multiple functions on multiple algebras. This leads us to do research on how defined equalities (strong and weak) are made in the multiple algebra on its resulted quotient.

Keywords: Multiple algebra, mathematics, universal algebra.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1201
485 1−Skeleton Resolution of Free Simplicial Algebras with Given CW−Basis

Authors: Ali Mutlu, Berrin Mutlu

Abstract:

In this paper we use the definition of CW basis of a free simplicial algebra. Using the free simplicial algebra, it is shown to construct free or totally free 2−crossed modules on suitable construction data with given a CW−basis of the free simplicial algebra. We give applications free crossed squares, free squared complexes and free 2−crossed complexes by using of 1(one) skeleton resolution of a step by step construction of the free simplicial algebra with a given CW−basis.

Keywords: Free crossed square, Free 2−crossed modules, Free simplicial algebra, Free square complexes, Free 2−crossed complexes CW−basis, 1−skeleton. A. M. S.Classification:[2000] 18D35, 18G30, 18G50, 18G55, 55Q05, 55Q20.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1056
484 Query Algebra for Semistuctured Data

Authors: Ei Ei Myat, Ni Lar Thein

Abstract:

With the tremendous growth of World Wide Web (WWW) data, there is an emerging need for effective information retrieval at the document level. Several query languages such as XML-QL, XPath, XQL, Quilt and XQuery are proposed in recent years to provide faster way of querying XML data, but they still lack of generality and efficiency. Our approach towards evolving a framework for querying semistructured documents is based on formal query algebra. Two elements are introduced in the proposed framework: first, a generic and flexible data model for logical representation of semistructured data and second, a set of operators for the manipulation of objects defined in the data model. In additional to accommodating several peculiarities of semistructured data, our model offers novel features such as bidirectional paths for navigational querying and partitions for data transformation that are not available in other proposals.

Keywords: Algebra, Semistructured data, Query Algebra.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1334
483 Protein-Protein Interaction Detection Based on Substring Sensitivity Measure

Authors: Nazar Zaki, Safaai Deris, Hany Alashwal

Abstract:

Detecting protein-protein interactions is a central problem in computational biology and aberrant such interactions may have implicated in a number of neurological disorders. As a result, the prediction of protein-protein interactions has recently received considerable attention from biologist around the globe. Computational tools that are capable of effectively identifying protein-protein interactions are much needed. In this paper, we propose a method to detect protein-protein interaction based on substring similarity measure. Two protein sequences may interact by the mean of the similarities of the substrings they contain. When applied on the currently available protein-protein interaction data for the yeast Saccharomyces cerevisiae, the proposed method delivered reasonable improvement over the existing ones.

Keywords: Protein-Protein Interaction, support vector machine, feature extraction, pairwise alignment, Smith-Waterman score.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1894
482 Multiplicative Functional on Upper Triangular Fuzzy Matrices

Authors: Liu Ping

Abstract:

In this paper, for an arbitrary multiplicative functional f from the set of all upper triangular fuzzy matrices to the fuzzy algebra, we prove that there exist a multiplicative functional F and a functional G from the fuzzy algebra to the fuzzy algebra such that the image of an upper triangular fuzzy matrix under f can be represented as the product of all the images of its main diagonal elements under F and other elements under G.

Keywords: Multiplicative functional, triangular fuzzy matrix, fuzzy addition operation, fuzzy multiplication operation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1160
481 Algebraic Quantum Error Correction Codes

Authors: Ming-Chung Tsai, Kuan-Peng Chen, Zheng-Yao

Abstract:

A systematic and exhaustive method based on the group structure of a unitary Lie algebra is proposed to generate an enormous number of quantum codes. With respect to the algebraic structure, the orthogonality condition, which is the central rule of generating quantum codes, is proved to be fully equivalent to the distinguishability of the elements in this structure. In addition, four types of quantum codes are classified according to the relation of the codeword operators and some initial quantum state. By linking the unitary Lie algebra with the additive group, the classical correspondences of some of these quantum codes can be rendered.

Keywords: Quotient-Algebra Partition, Codeword Spinors, Basis Codewords, Syndrome Spinors

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1373
480 Fixed Point Equations Related to Motion Integrals in Renormalization Hopf Algebra

Authors: Ali Shojaei-Fard

Abstract:

In this paper we consider quantum motion integrals depended on the algebraic reconstruction of BPHZ method for perturbative renormalization in two different procedures. Then based on Bogoliubov character and Baker-Campbell-Hausdorff (BCH) formula, we show that how motion integral condition on components of Birkhoff factorization of a Feynman rules character on Connes- Kreimer Hopf algebra of rooted trees can determine a family of fixed point equations.

Keywords: Birkhoff Factorization, Connes-Kreimer Hopf Algebra of Rooted Trees, Integral Renormalization, Lax Pair Equation, Rota- Baxter Algebras.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1394
479 Computational Algorithm for Obtaining Abelian Subalgebras in Lie Algebras

Authors: Manuel Ceballos, Juan Nunez, Angel F. Tenorio

Abstract:

The set of all abelian subalgebras is computationally obtained for any given finite-dimensional Lie algebra, starting from the nonzero brackets in its law. More concretely, an algorithm is described and implemented to compute a basis for each nontrivial abelian subalgebra with the help of the symbolic computation package MAPLE. Finally, it is also shown a brief computational study for this implementation, considering both the computing time and the used memory.

Keywords: Solvable Lie algebra, maximal abelian dimension, algorithm.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1244
478 Formex Algebra Adaptation into Parametric Design Tools: Dome Structures

Authors: Réka Sárközi, Péter Iványi, Attila B. Széll

Abstract:

The aim of this paper is to present the adaptation of the dome construction tool for formex algebra to the parametric design software Grasshopper. Formex algebra is a mathematical system, primarily used for planning structural systems such like truss-grid domes and vaults, together with the programming language Formian. The goal of the research is to allow architects to plan truss-grid structures easily with parametric design tools based on the versatile formex algebra mathematical system. To produce regular structures, coordinate system transformations are used and the dome structures are defined in spherical coordinate system. Owing to the abilities of the parametric design software, it is possible to apply further modifications on the structures and gain special forms. The paper covers the basic dome types, and also additional dome-based structures using special coordinate-system solutions based on spherical coordinate systems. It also contains additional structural possibilities like making double layer grids in all geometry forms. The adaptation of formex algebra and the parametric workflow of Grasshopper together give the possibility of quick and easy design and optimization of special truss-grid domes.

Keywords: Parametric design, structural morphology, space structures, spherical coordinate system.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1403
477 Non Approximately Inner Tensor Product of C*—Algebras

Authors: Rasoul Abazari

Abstract:

In this paper, we show that C*-tensor product of an arbitrary C*-algebra A, (not unital necessary) and C*-algebra B without ground state, have no approximately inner strongly continuous one-parameter group of *-automorphisms.

Keywords: One–parameter group, C*– tensor product, Approximately inner, Ground state.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1135
476 One-Class Support Vector Machines for Protein-Protein Interactions Prediction

Authors: Hany Alashwal, Safaai Deris, Razib M. Othman

Abstract:

Predicting protein-protein interactions represent a key step in understanding proteins functions. This is due to the fact that proteins usually work in context of other proteins and rarely function alone. Machine learning techniques have been applied to predict protein-protein interactions. However, most of these techniques address this problem as a binary classification problem. Although it is easy to get a dataset of interacting proteins as positive examples, there are no experimentally confirmed non-interacting proteins to be considered as negative examples. Therefore, in this paper we solve this problem as a one-class classification problem using one-class support vector machines (SVM). Using only positive examples (interacting protein pairs) in training phase, the one-class SVM achieves accuracy of about 80%. These results imply that protein-protein interaction can be predicted using one-class classifier with comparable accuracy to the binary classifiers that use artificially constructed negative examples.

Keywords: Bioinformatics, Protein-protein interactions, One-Class Support Vector Machines

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1938
475 Comparison of Domain and Hydrophobicity Features for the Prediction of Protein-Protein Interactions using Support Vector Machines

Authors: Hany Alashwal, Safaai Deris, Razib M. Othman

Abstract:

The protein domain structure has been widely used as the most informative sequence feature to computationally predict protein-protein interactions. However, in a recent study, a research group has reported a very high accuracy of 94% using hydrophobicity feature. Therefore, in this study we compare and verify the usefulness of protein domain structure and hydrophobicity properties as the sequence features. Using the Support Vector Machines (SVM) as the learning system, our results indicate that both features achieved accuracy of nearly 80%. Furthermore, domains structure had receiver operating characteristic (ROC) score of 0.8480 with running time of 34 seconds, while hydrophobicity had ROC score of 0.8159 with running time of 20,571 seconds (5.7 hours). These results indicate that protein-protein interaction can be predicted from domain structure with reliable accuracy and acceptable running time.

Keywords: Bioinformatics, protein-protein interactions, support vector machines, protein features.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1876
474 A Generalised Relational Data Model

Authors: Georgia Garani

Abstract:

A generalised relational data model is formalised for the representation of data with nested structure of arbitrary depth. A recursive algebra for the proposed model is presented. All the operations are formally defined. The proposed model is proved to be a superset of the conventional relational model (CRM). The functionality and validity of the model is shown by a prototype implementation that has been undertaken in the functional programming language Miranda.

Keywords: nested relations, recursive algebra, recursive nested operations, relational data model.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1516
473 Theory of Fractions in College Algebra Course

Authors: Alexander Y. Vaninsky

Abstract:

The paper compares the treatment of fractions in a typical undergraduate college curriculum and in abstract algebra textbooks. It stresses that the main difference is that the undergraduate curriculum treats equivalent fractions as equal, and this treatment eventually leads to paradoxes and impairs the students- ability to perceive ratios, proportions, radicals and rational exponents adequately. The paper suggests a simplified version of rigorous theory of fractions suitable for regular college curriculum.

Keywords: Fractions, mathematics curriculum, mathematics education, teacher preparation

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1625
472 Predicting Protein Function using Decision Tree

Authors: Manpreet Singh, Parminder Kaur Wadhwa, Surinder Kaur

Abstract:

The drug discovery process starts with protein identification because proteins are responsible for many functions required for maintenance of life. Protein identification further needs determination of protein function. Proposed method develops a classifier for human protein function prediction. The model uses decision tree for classification process. The protein function is predicted on the basis of matched sequence derived features per each protein function. The research work includes the development of a tool which determines sequence derived features by analyzing different parameters. The other sequence derived features are determined using various web based tools.

Keywords: Sequence Derived Features, decision tree.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1905
471 Optimization of Protein Hydrolysate Production Process from Jatropha curcas Cake

Authors: Waraporn Apiwatanapiwat, Pilanee Vaithanomsat, Phanu Somkliang, Taweesiri Malapant

Abstract:

This was the first document revealing the investigation of protein hydrolysate production optimization from J. curcas cake. Proximate analysis of raw material showed 18.98% protein, 5.31% ash, 8.52% moisture and 12.18% lipid. The appropriate protein hydrolysate production process began with grinding the J. curcas cake into small pieces. Then it was suspended in 2.5% sodium hydroxide solution with ratio between solution/ J. curcas cake at 80:1 (v/w). The hydrolysis reaction was controlled at temperature 50 °C in water bath for 45 minutes. After that, the supernatant (protein hydrolysate) was separated using centrifuge at 8000g for 30 minutes. The maximum yield of resulting protein hydrolysate was 73.27 % with 7.34% moisture, 71.69% total protein, 7.12% lipid, 2.49% ash. The product was also capable of well dissolving in water.

Keywords: Production, protein hydrolysate, Jatropha curcas cake, optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1908
470 Fractal Shapes Description with Parametric L-systems and Turtle Algebra

Authors: Ikbal Zammouri, Béchir Ayeb

Abstract:

In this paper, we propose a new method to describe fractal shapes using parametric l-systems. First we introduce scaling factors in the production rules of the parametric l-systems grammars. Then we decorticate these grammars with scaling factors using turtle algebra to show the mathematical relation between l-systems and iterated function systems (IFS). We demonstrate that with specific values of the scaling factors, we find the exact relationship established by Prusinkiewicz and Hammel between l-systems and IFS.

Keywords: Fractal shapes, IFS, parametric l-systems, turtlealgebra.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1799
469 Detecting Remote Protein Evolutionary Relationships via String Scoring Method

Authors: Nazar Zaki, Safaai Deris

Abstract:

The amount of the information being churned out by the field of biology has jumped manifold and now requires the extensive use of computer techniques for the management of this information. The predominance of biological information such as protein sequence similarity in the biological information sea is key information for detecting protein evolutionary relationship. Protein sequence similarity typically implies homology, which in turn may imply structural and functional similarities. In this work, we propose, a learning method for detecting remote protein homology. The proposed method uses a transformation that converts protein sequence into fixed-dimensional representative feature vectors. Each feature vector records the sensitivity of a protein sequence to a set of amino acids substrings generated from the protein sequences of interest. These features are then used in conjunction with support vector machines for the detection of the protein remote homology. The proposed method is tested and evaluated on two different benchmark protein datasets and it-s able to deliver improvements over most of the existing homology detection methods.

Keywords: Protein homology detection; support vectormachine; string kernel.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1344
468 Generalized π-Armendariz Authentication Cryptosystem

Authors: Areej M. Abduldaim, Nadia M. G. Al-Saidi

Abstract:

Algebra is one of the important fields of mathematics. It concerns with the study and manipulation of mathematical symbols. It also concerns with the study of abstractions such as groups, rings, and fields. Due to the development of these abstractions, it is extended to consider other structures, such as vectors, matrices, and polynomials, which are non-numerical objects. Computer algebra is the implementation of algebraic methods as algorithms and computer programs. Recently, many algebraic cryptosystem protocols are based on non-commutative algebraic structures, such as authentication, key exchange, and encryption-decryption processes are adopted. Cryptography is the science that aimed at sending the information through public channels in such a way that only an authorized recipient can read it. Ring theory is the most attractive category of algebra in the area of cryptography. In this paper, we employ the algebraic structure called skew -Armendariz rings to design a neoteric algorithm for zero knowledge proof. The proposed protocol is established and illustrated through numerical example, and its soundness and completeness are proved.

Keywords: Cryptosystem, identification, skew π-Armendariz rings, skew polynomial rings, zero knowledge protocol.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 745
467 UTMGO: A Tool for Searching a Group of Semantically Related Gene Ontology Terms and Application to Annotation of Anonymous Protein Sequence

Authors: Razib M. Othman, Safaai Deris, Rosli M. Illias

Abstract:

Gene Ontology terms have been actively used to annotate various protein sets. SWISS-PROT, TrEMBL, and InterPro are protein databases that are annotated according to the Gene Ontology terms. However, direct implementation of the Gene Ontology terms for annotation of anonymous protein sequences is not easy, especially for species not commonly represented in biological databases. UTMGO is developed as a tool that allows the user to quickly and easily search for a group of semantically related Gene Ontology terms. The applicability of the UTMGO is demonstrated by applying it to annotation of anonymous protein sequence. The extended UTMGO uses the Gene Ontology terms together with protein sequences associated with the terms to perform the annotation task. GOPET, GOtcha, GoFigure, and JAFA are used to compare the performance of the extended UTMGO.

Keywords: Anonymous protein sequence, Gene Ontology, Protein sequence annotation, Protein sequence alignment

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1396
466 A Bayesian Kernel for the Prediction of Protein- Protein Interactions

Authors: Hany Alashwal, Safaai Deris, Razib M. Othman

Abstract:

Understanding proteins functions is a major goal in the post-genomic era. Proteins usually work in context of other proteins and rarely function alone. Therefore, it is highly relevant to study the interaction partners of a protein in order to understand its function. Machine learning techniques have been widely applied to predict protein-protein interactions. Kernel functions play an important role for a successful machine learning technique. Choosing the appropriate kernel function can lead to a better accuracy in a binary classifier such as the support vector machines. In this paper, we describe a Bayesian kernel for the support vector machine to predict protein-protein interactions. The use of Bayesian kernel can improve the classifier performance by incorporating the probability characteristic of the available experimental protein-protein interactions data that were compiled from different sources. In addition, the probabilistic output from the Bayesian kernel can assist biologists to conduct more research on the highly predicted interactions. The results show that the accuracy of the classifier has been improved using the Bayesian kernel compared to the standard SVM kernels. These results imply that protein-protein interaction can be predicted using Bayesian kernel with better accuracy compared to the standard SVM kernels.

Keywords: Bioinformatics, Protein-protein interactions, Bayesian Kernel, Support Vector Machines.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2122
465 Protein Delivery from Polymeric Nanoparticles

Authors: G. Spada, E. Gavini, P. Giunchedi

Abstract:

Aim of this work was to compare the efficacy of two loading methods of proteins onto polymeric nanocarriers: adsorption and encapsulation methods. Preliminary studies of protein loading were done using Bovine Serum Albumin (BSA) as model protein. Nanocarriers were prepared starting from polylactic co-glycolic acid (PLGA) polymer; production methods used are two different variants of emulsion evaporation method. Nanoparticles obtained were analyzed in terms of dimensions by Dynamic Light Scattering and Loading Efficiency of BSA by Bradford Assay. Loaded nanoparticles were then submitted to in-vitro protein dissolution test in order to study the effect of the delivery system on the release rate of the protein.

Keywords: Drug delivery, nanoparticles, PLGA, proteinadsorption, protein encapsulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2462
464 Protein Graph Partitioning by Mutually Maximization of cycle-distributions

Authors: Frank Emmert Streib

Abstract:

The classification of the protein structure is commonly not performed for the whole protein but for structural domains, i.e., compact functional units preserved during evolution. Hence, a first step to a protein structure classification is the separation of the protein into its domains. We approach the problem of protein domain identification by proposing a novel graph theoretical algorithm. We represent the protein structure as an undirected, unweighted and unlabeled graph which nodes correspond the secondary structure elements of the protein. This graph is call the protein graph. The domains are then identified as partitions of the graph corresponding to vertices sets obtained by the maximization of an objective function, which mutually maximizes the cycle distributions found in the partitions of the graph. Our algorithm does not utilize any other kind of information besides the cycle-distribution to find the partitions. If a partition is found, the algorithm is iteratively applied to each of the resulting subgraphs. As stop criterion, we calculate numerically a significance level which indicates the stability of the predicted partition against a random rewiring of the protein graph. Hence, our algorithm terminates automatically its iterative application. We present results for one and two domain proteins and compare our results with the manually assigned domains by the SCOP database and differences are discussed.

Keywords: Graph partitioning, unweighted graph, protein domains.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1308
463 Critical Assessment of Scoring Schemes for Protein-Protein Docking Predictions

Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1753
462 Parallezation Protein Sequence Similarity Algorithms using Remote Method Interface

Authors: Mubarak Saif Mohsen, Zurinahni Zainol, Rosalina Abdul Salam, Wahidah Husain

Abstract:

One of the major problems in genomic field is to perform sequence comparison on DNA and protein sequences. Executing sequence comparison on the DNA and protein data is a computationally intensive task. Sequence comparison is the basic step for all algorithms in protein sequences similarity. Parallel computing is an attractive solution to provide the computational power needed to speedup the lengthy process of the sequence comparison. Our main research is to enhance the protein sequence algorithm using dynamic programming method. In our approach, we parallelize the dynamic programming algorithm using multithreaded program to perform the sequence comparison and also developed a distributed protein database among many PCs using Remote Method Interface (RMI). As a result, we showed how different sizes of protein sequences data and computation of scoring matrix of these protein sequence on different number of processors affected the processing time and speed, as oppose to sequential processing.

Keywords: Protein sequence algorithm, dynamic programming algorithm, multithread

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1859
461 Expressive Modes and Species of Language

Authors: Richard Elling Moe

Abstract:

Computer languages are usually lumped together into broad -paradigms-, leaving us in want of a finer classification of kinds of language. Theories distinguishing between -genuine differences- in language has been called for, and we propose that such differences can be observed through a notion of expressive mode. We outline this concept, propose how it could be operationalized and indicate a possible context for the development of a corresponding theory. Finally we consider a possible application in connection with evaluation of language revision. We illustrate this with a case, investigating possible revisions of the relational algebra in order to overcome weaknesses of the division operator in connection with universal queries.

Keywords: Expressive mode, Computer language species, Evaluation of revision, Relational algebra, Universal database queries

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1289