Abstract: Protein structure determination and prediction has
been a focal research subject in the field of bioinformatics due to the
importance of protein structure in understanding the biological and
chemical activities of organisms. The experimental methods used by
biotechnologists to determine the structures of proteins demand
sophisticated equipment and time. A host of computational methods
are developed to predict the location of secondary structure elements
in proteins for complementing or creating insights into experimental
results. However, prediction accuracies of these methods rarely
exceed 70%.
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.
Abstract: The understanding of the system level of biological behavior and phenomenon variously needs some elements such as gene sequence, protein structure, gene functions and metabolic pathways. Challenging problems are representing, learning and reasoning about these biochemical reactions, gene and protein structure, genotype and relation between the phenotype, and expression system on those interactions. The goal of our work is to understand the behaviors of the interactions networks and to model their evolution in time and in space. We propose in this study an ontological meta-model for the knowledge representation of the genetic regulatory networks. Ontology in artificial intelligence means the fundamental categories and relations that provide a framework for knowledge models. Domain ontology's are now commonly used to enable heterogeneous information resources, such as knowledge-based systems, to communicate with each other. The interest of our model is to represent the spatial, temporal and spatio-temporal knowledge. We validated our propositions in the genetic regulatory network of the Aarbidosis thaliana flower
Abstract: Protein residue contact map is a compact
representation of secondary structure of protein. Due to the
information hold in the contact map, attentions from researchers in
related field were drawn and plenty of works have been done
throughout the past decade. Artificial intelligence approaches have
been widely adapted in related works such as neural networks,
genetic programming, and Hidden Markov model as well as support
vector machine. However, the performance of the prediction was not
generalized which probably depends on the data used to train and
generate the prediction model. This situation shown the importance
of the features or information used in affecting the prediction
performance. In this research, support vector machine was used to
predict protein residue contact map on different combination of
features in order to show and analyze the effectiveness of the
features.
Abstract: In this paper, we represent protein structure by using
graph. A protein structure database will become a graph database.
Each graph is represented by a spectral vector. We use Jacobi
rotation algorithm to calculate the eigenvalues of the normalized
Laplacian representation of adjacency matrix of graph. To measure
the similarity between two graphs, we calculate the Euclidean
distance between two graph spectral vectors. To cluster the graphs,
we use M-tree with the Euclidean distance to cluster spectral vectors.
Besides, M-tree can be used for graph searching in graph database.
Our proposal method was tested with graph database of 100 graphs
representing 100 protein structures downloaded from Protein Data
Bank (PDB) and we compare the result with the SCOP hierarchical
structure.
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.
Abstract: The γ-turns play important roles in protein folding and
molecular recognition. The prediction and analysis of γ-turn types are
important for both protein structure predictions and better
understanding the characteristics of different γ-turn types. This study
proposed a physicochemical property-based decision tree (PPDT)
method to interpretably predict γ-turn types. In addition to the good
prediction performance of PPDT, three simple and human
interpretable IF-THEN rules are extracted from the decision tree
constructed by PPDT. The identified informative physicochemical
properties and concise rules provide a simple way for discriminating
and understanding γ-turn types.
Abstract: In this paper we introduce the notion of protein interaction
network. This is a graph whose vertices are the protein-s
amino acids and whose edges are the interactions between them.
Using a graph theory approach, we identify a number of properties of
these networks. We compare them to the general small-world network
model and we analyze their hierarchical structure.
Abstract: In this paper we introduce the notion of protein interaction network. This is a graph whose vertices are the protein-s amino acids and whose edges are the interactions between them. Using a graph theory approach, we observe that according to their structural roles, the nodes interact differently. By leading a community structure detection, we confirm this specific behavior and describe thecommunities composition to finally propose a new approach to fold a protein interaction network.
Abstract: Search for a tertiary substructure that geometrically
matches the 3D pattern of the binding site of a well-studied protein provides a solution to predict protein functions. In our previous work,
a web server has been built to predict protein-ligand binding sites
based on automatically extracted templates. However, a drawback of such templates is that the web server was prone to resulting in many
false positive matches. In this study, we present a sequence-order constraint to reduce the false positive matches of using automatically
extracted templates to predict protein-ligand binding sites. The binding site predictor comprises i) an automatically constructed template library and ii) a local structure alignment algorithm for
querying the library. The sequence-order constraint is employed to
identify the inconsistency between the local regions of the query protein and the templates. Experimental results reveal that the sequence-order constraint can largely reduce the false positive matches and is effective for template-based binding site prediction.
Abstract: Bioinformatics and computational biology involve
the use of techniques including applied mathematics,
informatics, statistics, computer science, artificial intelligence,
chemistry, and biochemistry to solve biological problems
usually on the molecular level. Research in computational
biology often overlaps with systems biology. Major research
efforts in the field include sequence alignment, gene finding,
genome assembly, protein structure alignment, protein structure
prediction, prediction of gene expression and proteinprotein
interactions, and the modeling of evolution. Various
global rearrangements of permutations, such as reversals and
transpositions,have recently become of interest because of their
applications in computational molecular biology. A reversal is
an operation that reverses the order of a substring of a permutation.
A transposition is an operation that swaps two adjacent
substrings of a permutation. The problem of determining the
smallest number of reversals required to transform a given
permutation into the identity permutation is called sorting by
reversals. Similar problems can be defined for transpositions
and other global rearrangements. In this work we perform a
study about some genome rearrangement primitives. We show
how a genome is modelled by a permutation, introduce some
of the existing primitives and the lower and upper bounds
on them. We then provide a comparison of the introduced
primitives.
Abstract: The ability to distinguish missense nucleotide
substitutions that contribute to harmful effect from those that do not
is a difficult problem usually accomplished through functional in
vivo analyses. In this study, instead current biochemical methods, the
effects of missense mutations upon protein structure and function
were assayed by means of computational methods and information
from the databases. For this order, the effects of new missense
mutations in exon 5 of PTEN gene upon protein structure and
function were examined. The gene coding for PTEN was identified
and localized on chromosome region 10q23.3 as the tumor
suppressor gene. The utilization of these methods were shown that
c.319G>A and c.341T>G missense mutations that were recognized in
patients with breast cancer and Cowden disease, could be pathogenic.
This method could be use for analysis of missense mutation in others
genes.
Abstract: The rheological properties, structure and potential synergistic interactions of whey proteins (1-6%) and inulin (20%) in mixed gels in the presence of CaCl2 was the aim of this study. Whey proteins have a strong influence on inulin gel formation. At low concentrations (2%) whey proteins did not impair in inulin gel formation. At higher concentration (4%) whey proteins impaired inulin gelation and inulin impaired the formation of a Ca2+-induced whey protein network. The presence of whey proteins at a level allowing for protein gel network formation (6%) significantly increased the rheological parameters values of the gels. SEM micrographs showed that whey protein structure was coated by inulin moieties which could make the mixed gels firmer. The protein surface hydrophobicity measurements did not exclude synergistic interactions between inulin and whey proteins, however. The use of an electrophoretic technique did not show any stable inulin-whey protein complexes.