Constructing Complex 3D Biological Environments from Medical Imaging Using High Performance Computing
Extracting information about the structure of biological tissue from static image data is a complex task requiring computationally intensive operations. Here, we present how multicore CPUs and GPUs have been utilized to extract information about the ...
Smoldyn on Graphics Processing Units: Massively Parallel Brownian Dynamics Simulations
Space is a very important aspect in the simulation of biochemical systems; recently, the need for simulation algorithms able to cope with space is becoming more and more compelling. Complex and detailed models of biochemical systems need to deal with ...
Reverse Engineering and Analysis of Genome-Wide Gene Regulatory Networks from Gene Expression Profiles Using High-Performance Computing
- Vincenzo Belcastro,
- Francesco Gregoretti,
- Velia Siciliano,
- Michele Santoro,
- Giovanni D'Angelo,
- Gennaro Oliva,
- Diego di Bernardo
Regulation of gene expression is a carefully regulated phenomenon in the cell. "Reverse-engineering” algorithms try to reconstruct the regulatory interactions among genes from genome-scale measurements of gene expression profiles (microarrays). ...
Fast Parallel Markov Clustering in Bioinformatics Using Massively Parallel Computing on GPU with CUDA and ELLPACK-R Sparse Format
Markov clustering (MCL) is becoming a key algorithm within bioinformatics for determining clusters in networks. However, with increasing vast amount of data on biological networks, performance and scalability issues are becoming a critical limiting ...
On Parameter Synthesis by Parallel Model Checking
An important problem in current computational systems biology is to analyze models of biological systems dynamics under parameter uncertainty. This paper presents a novel algorithm for parameter synthesis based on parallel model checking. The algorithm ...
A Biologically Inspired Validity Measure for Comparison of Clustering Methods over Metabolic Data Sets
In the biological domain, clustering is based on the assumption that genes or metabolites involved in a common biological process are coexpressed/coaccumulated under the control of the same regulatory network. Thus, a detailed inspection of the grouped ...
A Coclustering Approach for Mining Large Protein-Protein Interaction Networks
Several approaches have been presented in the literature to cluster Protein-Protein Interaction (PPI) networks. They can be grouped in two main categories: those allowing a protein to participate in different clusters and those generating only ...
A Comparative Study on Filtering Protein Secondary Structure Prediction
- Petros Kountouris,
- Michalis Agathocleous,
- Vasilis J. Promponas,
- Georgia Christodoulou,
- Simos Hadjicostas,
- Vassilis Vassiliades,
- Chris Christodoulou
Filtering of Protein Secondary Structure Prediction (PSSP) aims to provide physicochemically realistic results, while it usually improves the predictive performance. We performed a comparative study on this challenging problem, utilizing both machine ...
A Framework for Incorporating Functional Interrelationships into Protein Function Prediction Algorithms
The functional annotation of proteins is one of the most important tasks in the post-genomic era. Although many computational approaches have been developed in recent years to predict protein function, most of these traditional algorithms do not take ...
A Top-r Feature Selection Algorithm for Microarray Gene Expression Data
Most of the conventional feature selection algorithms have a drawback whereby a weakly ranked gene that could perform well in terms of classification accuracy with an appropriate subset of genes will be left out of the selection. Considering this ...
Clustering 100,000 Protein Structure Decoys in Minutes
Ab initio protein structure prediction methods first generate large sets of structural conformations as candidates (called decoys), and then select the most representative decoys through clustering techniques. Classical clustering methods are ...
Designing Filters for Fast-Known NcRNA Identification
Detecting members of known noncoding RNA (ncRNA) families in genomic DNA is an important part of sequence annotation. However, the most widely used tool for modeling ncRNA families, the covariance model (CM), incurs a high-computational cost when used ...
Empirical Evidence of the Applicability of Functional Clustering through Gene Expression Classification
The availability of a great range of prior biological knowledge about the roles and functions of genes and gene-gene interactions allows us to simplify the analysis of gene expression data to make it more robust, compact, and interpretable. Here, we ...
Exploiting Intrastructure Information for Secondary Structure Prediction with Multifaceted Pipelines
Predicting the secondary structure of proteins is still a typical step in several bioinformatic tasks, in particular, for tertiary structure prediction. Notwithstanding the impressive results obtained so far, mostly due to the advent of sequence ...
Faster Mass Spectrometry-Based Protein Inference: Junction Trees Are More Efficient than Sampling and Marginalization by Enumeration
The problem of identifying the proteins in a complex mixture using tandem mass spectrometry can be framed as an inference problem on a graph that connects peptides to proteins. Several existing protein identification methods make use of statistical ...
Gene Classification Using Parameter-Free Semi-Supervised Manifold Learning
A new manifold learning method, called parameter-free semi-supervised local Fisher discriminant analysis (pSELF), is proposed to map the gene expression data into a low-dimensional space for tumor classification. Motivated by the fact that semi-...
Markov Invariants for Phylogenetic Rate Matrices Derived from Embedded Submodels
We consider novel phylogenetic models with rate matrices that arise via the embedding of a progenitor model on a small number of character states, into a target model on a larger number of character states. Adapting representation-theoretic results from ...
Mutagenic Primer Design for Mismatch PCR-RFLP SNP Genotyping Using a Genetic Algorithm
Polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) is useful in small-scale basic research studies of complex genetic diseases that are associated with single nucleotide polymorphism (SNP). Designing a feasible primer pair is ...
On the Application of Active Learning and Gaussian Processes in Postcryopreservation Cell Membrane Integrity Experiments
Biological cell cryopreservation permits storage of specimens for future use. Stem cell cryostorage in particular is fast becoming a broadly spread practice due to their potential for use in regenerative medicine. For the optimal cryopreservation ...
Protein Complexes Discovery Based on Protein-Protein Interaction Data via a Regularized Sparse Generative Network Model
Detecting protein complexes from protein interaction networks is one major task in the postgenome era. Previous developed computational algorithms identifying complexes mainly focus on graph partition or dense region finding. Most of these traditional ...
Quantifying Dynamic Stability of Genetic Memory Circuits
Bistability/Multistability has been found in many biological systems including genetic memory circuits. Proper characterization of system stability helps to understand biological functions and has potential applications in fields such as synthetic ...
Quantitative Analysis of the Self-Assembly Strategies of Intermediate Filaments from Tetrameric Vimentin
In vitro assembly of intermediate filaments from tetrameric vimentin consists of a very rapid phase of tetramers laterally associating into unit-length filaments and a slow phase of filament elongation. We focus in this paper on a systematic ...
The GA and the GWAS: Using Genetic Algorithms to Search for Multilocus Associations
Enormous data collection efforts and improvements in technology have made large genome-wide association studies a promising approach for better understanding the genetics of common diseases. Still, the knowledge gained from these studies may be extended ...
The Relevance of Topology in Parallel Simulation of Biological Networks
Important achievements in traditional biology have deepened the knowledge about living systems leading to an extensive identification of parts-list of the cell as well as of the interactions among biochemical species responsible for cell's regulation. ...
Weighted Markov Chain Based Aggregation of Biomolecule Orderings
The scope and effectiveness of Rank Aggregation (RA) have already been established in contemporary bioinformatics research. Rank aggregation helps in meta-analysis of putative results collected from different analytic or experimental sources. For ...
Mutual Information Optimization for Mass Spectra Data Alignment
- Italo Zoppis,
- Erica Gianazza,
- Massimiliano Borsani,
- Clizia Chinello,
- Veronica Mainini,
- Carmen Galbusera,
- Carlo Ferrarese,
- Gloria Galimberti,
- Sandro Sorbi,
- Barbara Borroni,
- Fulvio Magni,
- Marco Antoniotti,
- Giancarlo Mauri
"Signal” alignments play critical roles in many clinical setting. This is the case of mass spectrometry (MS) data, an important component of many types of proteomic analysis. A central problem occurs when one needs to integrate (MS) data produced by ...
Comment on "SCS: Signal, Context, and Structure Features for Genome-Wide Human Promoter Recognition”
We comment on the flexibility profiles calculated by Zeng et al., and show that these profiles do not represent the local flexibility of the DNA molecule. If one takes into account the physics of elasticity, the averaged flexibility profile show an ...
Subjects
Currently Not Available