<![CDATA[BOL: Related items]]> https://bioinformaticsonline.com/related/42936?offset=450 https://bioinformaticsonline.com/pages/view/35802/bioinformatics-tools-to-detect-horizontal-gene-transfer-hgt-in-genomes Fri, 02 Mar 2018 04:56:23 -0600 https://bioinformaticsonline.com/pages/view/35802/bioinformatics-tools-to-detect-horizontal-gene-transfer-hgt-in-genomes <![CDATA[Bioinformatics tools to detect horizontal gene transfer (HGT) in genomes]]> Horizontal gene transfer (HGT), the “non-sexual movement of genetic material between two organisms” , is relatively common in prokaryotes and single-celled eukaryotes, but a number of factors combine to make it far rarer in multicellular eukaryotes. In order for a eukaryotic species to gain a gene by HGT, foreign DNA must enter the host nucleus, integrate into the genome, and in more complex organisms it must enter the sequestered germline in order to be transmitted to offspring. Once there, it must not experience strong negative selection, despite potential for genetic incompatibility with the host genome and mismatch between the niche of the donor and the host. Over the longer term, foreign DNA may become “domesticated” in the recipient genome and provide novel function.

Following are the popular tool to detect HGT in genomes:

T-REX / 3.22

HGT detection / download & compile

20525630

 

RANGER-DTL / 2.0

HGT detection / download binary

22689773

 

PhyloNet / 3.6.1

HGT detection / download binary

18662388

 

Jane / 4.01

HGT detection / download binary (!license!)

20181081

 

TREE-PUZZLE / 5.3.rc16

HGT detection / download & compile

11934758

 

CONSEL / 0.20

HGT detection / download

11751242

 

DarkHorse / 1.5 rev170

HGT detection / download & install

17274820

 

HGTector / 0.2.1

HGT detection / git clone

25159222

 

EGID / 1.0

HGT detection / download

22355228

 

GeneMarkS / 4.30

HGT detection / download binary (!license!)

9461475

]]> Jit https://bioinformaticsonline.com/pages/view/36392/protein-protein-interaction-sites-predictions Wed, 25 Apr 2018 04:53:20 -0500 https://bioinformaticsonline.com/pages/view/36392/protein-protein-interaction-sites-predictions <![CDATA[Protein-Protein Interaction Sites Predictions !]]> The study of Protein–Protein Interactions (PPIs) has a crucial role in biology, medicine and the pharmaceutical industry. PPIs can be investigated from two aspects: The interaction partners of a specific protein and the amino acid residues participating in a given PPI. Information about a protein’s interaction partners allows scientists to construct protein interaction networks, such as signaling pathways, which in turn facilitate the understanding of many biological and clinical observations. 

Following are the list of tools commonly used to PPIs predictions:

Protein-Protein Interaction Sites

PPISP

A consensus neural network method for predicting protein-protein interaction sites

HOMCOS

A server to predict interacting protein pairs and interacting sites by homology modeling of complex structures

HotPOINT

Prediction of protein interfaces using an empirical model

ISIS

Prediction of interaction hotspots from sequence

KFC server

Automated decision-tree approach to predicting protein-protein interaction hot spots

meta-PPISP

A meta server for predicting protein-protein interaction sites. meta-PPISP is built on three individual web servers: cons-PPISP, PINUP, and Promate

ODA

Identification of optimal surface patches with the lowest docking desolvation energy values

PINUP

Protein binding site prediction with an empirical scoring function

Other Sites (DNA, RNA, Metals)

CHED 

Web server for predicting soft metal binding sites in proteins

DBD-Hunter

A knowledge-based method for the prediction of DNA-protein interactions

DISPLAR

Given the structure of a protein known to bind DNA, the method predicts residues that contact DNA using neural network method

iDBPs

Predicts DNA binding proteins for proteins with known 3D structure.

PFplus

A tool for extracting and displaying positive electrostatic patches on protein surfaces which can be indicative of nucleic acid binding interfaces.
]]> Poonam Mahapatra https://bioinformaticsonline.com/bookmarks/view/36518/mix-combining-multiple-assemblies-from-ngs-data Tue, 08 May 2018 04:58:05 -0500 https://bioinformaticsonline.com/bookmarks/view/36518/mix-combining-multiple-assemblies-from-ngs-data <![CDATA[MIX: Combining multiple assemblies from NGS data]]> Mix is a tool that combines two or more draft assemblies, without relying on a reference genome and has the goal to reduce contig fragmentation and thus speed-up genome finishing. The proposed algorithm builds an extension graph where vertices represent extremities of contigs and edges represent existing alignments between these extremities. These alignment edges are used for contig extension. The resulting output assembly corresponds to a path in the extension graph that maximizes the cumulative contig length.

The Mix algorithm, approach and results were published in BMC bioinformatics : http://www.biomedcentral.com/1471-2105/14/S15/S16.

Address of the bookmark: https://github.com/cbib/MIX

]]> Rahul Nayak https://bioinformaticsonline.com/bookmarks/view/43546/introduction-to-phylogenies-in-r Wed, 13 Oct 2021 02:27:21 -0500 https://bioinformaticsonline.com/bookmarks/view/43546/introduction-to-phylogenies-in-r <![CDATA[Introduction to phylogenies in R]]> R phylogenetics is built on the contributed packages for phylogenetics in R, and there are many such packages. Let's begin today by installing a few critical packages, such as ape, phangorn, phytools, and geiger. To get the most recent CRAN version of these packages, you will need to have R 3.3.x installed on your computer!

Address of the bookmark: http://www.phytools.org/Cordoba2017/ex/2/Intro-to-phylogenies.html

]]> Abhi https://bioinformaticsonline.com/blog/view/44002/interesting-bioinformatics-resources Fri, 11 Nov 2022 06:30:46 -0600 https://bioinformaticsonline.com/blog/view/44002/interesting-bioinformatics-resources <![CDATA[Interesting Bioinformatics Resources !]]> 1. a reproducible workflow. https://www.youtube.com/watch?v=s3JldKoA0zw This two minute video will change your mind on reproducible research 

2. Parallel sequencing lives, or what makes large sequencing projects successful https://academic.oup.com/gigascience/article/6/11/gix100/4557140?login=false

3. Common-sense approaches to sharing tabular data alongside publication https://www.sciencedirect.com/science/article/pii/S2666389921002300

4. A Reproducible Data Analysis Workflow with R Markdown, Git, Make, and Docker https://psyarxiv.com/8xzqy/

5. Practical Computational Reproducibility in the Life Sciences https://www.cell.com/cell-systems/fulltext/S2405-4712(18)30140-6

6. A video by Dr.Keith A. Baggerly from MD Anderson [The Importance of Reproducible Research in High-Throughput Biology](https://www.youtube.com/watch?v=7gYIs7uYbMo) highly recommended.

7. Ten Simple Rules for Reproducible Computational Research http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003285)

8. Good Enough Practices in Scientific Computing http://arxiv.org/abs/1609.00037 

9. Best Practices for Scientific Computing https://journals.plos.org/plosbiology/article?id=10.1371/journal.pbio.1001745

10. A Quick Guide to Organizing Computational Biology Projects http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.100042  A must read for computational biologists!

11. Reproducibility of computational workflows is automated using continuous analysis https://www.nature.com/articles/nbt.3780

12. Five selfish reasons to work reproducibly https://genomebiology.biomedcentral.com/articles/10.1186/s13059-015-0850-7

]]> Abhi https://bioinformaticsonline.com/pages/view/44618/important-bioinformatics-tools Tue, 30 Jul 2024 05:03:29 -0500 https://bioinformaticsonline.com/pages/view/44618/important-bioinformatics-tools <![CDATA[Important Bioinformatics Tools !]]> 1. Ktrim: An extra-fast, accurate adapter trimmer for sequencing data. It processes FASTQ files from multiple lanes with minimal mismatching and over-trimming of adapters.

2. BWA MEM: A reliable alignment tool (particularly for mapping ALT contigs and HLA genes, which are not fully addressed in BWA-MEM2).

3. Sambamba markdup: Quickly marks or removes duplicate reads using Picard's criteria.

4. ichorCNA: Estimates the tumor DNA fraction in cell-free DNA from ultra-low-pass whole genome sequencing (0.1x coverage) based on copy number alterations (CNA).

5. Fragle: A deep learning method for quantifying ctDNA levels from cell-free DNA fragmentomic profiles. It detects TF as low as ~1% ctDNA and works with targeted genomic panel sequencing data.

6. AlfredQC: A quality control tool for high-throughput sequencing data. It assesses metrics like read quality scores, GC content, and duplication rates, visualized through detailed plots and summary statistics.

7. Mosdepth: A fast tool for calculating sequencing coverage depth, offering a quicker alternative to samtools/sambamba depth by processing BAM and CRAM files.

8. Bedtools: A versatile toolkit for genomics, enabling operations like intersect, merge, count, and shuffle on genomic intervals across formats such as BAM, BED, GFF/GTF, and VCF.

9. Datamash: A command-line tool for basic numeric, textual, and statistical operations on input data streams. It supports operations such as grouping, sorting, transposing, and performing arithmetic calculations on tabular data.

10. gwf.app: A pragmatic alternative to Snakemake. Developed at Aarhus University, this flexible, generic workflow tool builds and runs large scientific workflows.

]]> BioStar https://bioinformaticsonline.com/blog/view/45343/simulating-the-unseen-new-tools-reshaping-metagenomic-research Wed, 23 Sep 2026 09:42:30 -0500 https://bioinformaticsonline.com/blog/view/45343/simulating-the-unseen-new-tools-reshaping-metagenomic-research <![CDATA[Simulating the Unseen: New Tools Reshaping Metagenomic Research]]> When benchmarking a new metagenomic pipeline the first step is generally to face a simple problem. A bioinformatician might have a good deal of real sequencing data, but there's a drawback in that the actual biological composition underlying those reads is almost never known. What organisms really were there? In what quantities? How many sequencing errors occurred? Can the pipeline correctly reconstruct the community? Since the true answers are unknown, it is difficult to deal with these questions.

Metagenomic simulators are a way of dealing with this issue; they produce artificial sequencing datasets in which both the composition of the microorganisms and the expected results are known. Researchers can then test a pipeline on such a controlled dataset and see precisely how well it functions. However, as metagenomic studies have become larger, more diverse, and more complex, simply generating artificial reads is no longer sufficient. The simulators now have to replicate community variation, sequencing errors, different sequencing platforms, massive data volumes, and even laboratory-based biases.

MIDASim (2024) was designed with a particular emphasis on microbial community dynamics. Unlike previous tools which regarded each simulated sample as individual, MIDASim is able to efficiently generate realistic multi-sample microbiome datasets, covering the cases where changes over time are being tracked. This feature is particularly useful when investigating how microbial communities vary between people, different experimental setups, or at various times. By overcoming the computational limitations of earlier simulation methods, MIDASim has made it easier to carry out large and complex microbiome simulation studies.

A major challenge is scale. Since modern metagenomic projects can involve millions or even billions of sequencing reads, generating such large synthetic datasets can become a significant computational problem. In order to tackle this issue, Izzy (2025) was developed. As a high-throughput metagenomic read simulator, Izzy is designed with speed in mind while still reproducing the typical patterns of sequencing errors. The people who developed it stated that it can be as much as 60 times faster than earlier tools, which makes large-scale simulations far more practical. Now, researchers can begin to ask not how long a simulation will take but rather what size dataset they want to test.

At the same time, the sequencing technology became more diverse. Researchers were not any longer restricted to using Illumina short reads since Oxford Nanopore and PacBio long-read sequencing also became important in the field of metagenomic research. In order to address these new requirements, MeSS (Metagenomic Sequence Simulator, 2025) was developed. The programme is based on a Snakemake framework and is therefore compatible with the Illumina, Oxford Nanopore and PacBio platforms. MeSS has also been designed to operate efficiently and to use less memory than earlier tools; it provides ready-made templates for the microbiomes of different sites in the human body, thus giving researchers a simple means of beginning to generate realistic simulated communities.

The simulation problem became even more specialized. Suppose that sequencing is not based on uniform sampling of DNA? In the case of targeted sequencing and hybridization-capture experiments, particular sequences are deliberately enriched, and the probability of capturing a target depends on both the probe and the target sequence. A standard model based on uniform sampling might fail to take into account this important feature of real experiments. That is why RAmpSim has been designed specifically to handle simulations for capture-based and targeted sequencing. Instead of depending solely on the assumption of uniform sampling, it includes a thermodynamic nearest-neighbor energy model to represent probe–target interactions and sequence-dependent enrichment. As a result, it is especially suitable for applications such as hybridization capture in metagenomics, where the efficiency of recovering a sequence can depend strongly on how it relates to the capture probes. RAmpSim thus reflects a wider trend towards simulations that aim not only to reproduce sequencing output but also key aspects of the experimental process itself.

MIDASim, Izzy, MeSS and RAmpSim all demonstrate how fast metagenomic simulation is evolving. MIDASim is able to deal with realistic variation within a large number of and changing microbial communities. Izzy overcomes the problem of generating very large datasets. MeSS provides support for a number of sequencing technologies in an efficient and repeatable manner. RAmpSim increases the experimental realism for capture-based sequencing. Although each of these tools addresses a separate issue, they all contribute to advancing the field.

Modern metagenomic simulation therefore aims not only at producing artificial FASTQ files. Researchers nowadays desire simulated datasets that reflect community changes, incorporate the characteristics of the sequencing platform, include real error patterns, take into account computational scale, and account for experimental biases. As metagenomic workflows become more advanced, the simulators have to keep up with this development. The tools are now going beyond that of simple data generators; they produce controlled versions of complex metagenomic experiments and thus provide researchers with something that ordinary sequencing data seldom does: a dataset in which the answer is known before any analysis takes place.

]]> LEGE https://bioinformaticsonline.com/bookmarks/view/34400/ioniser-tools-for-the-quality-assessment-of-data-produced-by-oxford-nanopore%E2%80%99s-minion-sequencer Thu, 23 Nov 2017 10:24:19 -0600 https://bioinformaticsonline.com/bookmarks/view/34400/ioniser-tools-for-the-quality-assessment-of-data-produced-by-oxford-nanopore%E2%80%99s-minion-sequencer <![CDATA[IONiseR: tools for the quality assessment of data produced by Oxford Nanopore’s MinION sequencer]]> This package is intended to provide tools for the quality assessment of data produced by Oxford Nanopore’s MinION sequencer. It includes a functions to generate a number plots for examining the statistics that we think will be useful for this task.

However, nanopore sequencing is an emerging and rapidly developing technology. It is not clear what will be most informative. We hope that IONiseR will provide a framework for visualisation of metrics that we haven’t thought of, and welcome feedback at mike.smith@embl.de.

If you’re not interested in the quality assement of the raw or event level data, and want to jump straight to the getting FASTQ format files from fast5 files you can go straight to the final section of this document.

Address of the bookmark: https://www.bioconductor.org/packages/devel/bioc/vignettes/IONiseR/inst/doc/IONiseR.html

]]> Jit https://bioinformaticsonline.com/bookmarks/view/36512/hisat2-a-fast-and-sensitive-alignment-program-for-mapping-next-generation-sequencing-reads Tue, 08 May 2018 04:27:22 -0500 https://bioinformaticsonline.com/bookmarks/view/36512/hisat2-a-fast-and-sensitive-alignment-program-for-mapping-next-generation-sequencing-reads <![CDATA[HISAT2: a fast and sensitive alignment program for mapping next-generation sequencing reads]]> HISAT2 is a fast and sensitive alignment program for mapping next-generation sequencing reads (both DNA and RNA) to a population of human genomes (as well as to a single reference genome). Based on an extension of BWT for graphs [Sirén et al. 2014], we designed and implemented a graph FM index (GFM), an original approach and its first implementation to the best of our knowledge. In addition to using one global GFM index that represents a population of human genomes, HISAT2 uses a large set of small GFM indexes that collectively cover the whole genome (each index representing a genomic region of 56 Kbp, with 55,000 indexes needed to cover the human population). These small indexes (called local indexes), combined with several alignment strategies, enable rapid and accurate alignment of sequencing reads. This new indexing scheme is called a Hierarchical Graph FM index (HGFM). 

more at https://ccb.jhu.edu/software/hisat2/index.shtml

Address of the bookmark: https://github.com/infphilo/hisat2

]]> Rahul Nayak https://bioinformaticsonline.com/blog/view/38238/list-of-motif-discovery-tools Tue, 20 Nov 2018 03:54:26 -0600 https://bioinformaticsonline.com/blog/view/38238/list-of-motif-discovery-tools <![CDATA[List of motif discovery tools !]]>
In genetics, a sequence motif is a nucleotide or amino-acid sequence pattern that is widespread and has, or is conjectured to have, a biological significance. For proteins, a sequence motif is distinguished from a structural motif, a motif formed by the three-dimensional arrangement of amino acids which may not be adjacent.
 
Following are the list of tools for motif discovery:
 

Perform secondary structure predictions on protein sequences.

Find binding specificity information about DNA-protein complexes.

Find information about the binding specificity of DNA-binding proteins.

Use this web-based sequence motif visualization system to display sequence motif information in its appropriate three-dimensional (3D) context.

Protein function prediction and annotation in an integrated environment powered by web service.

Use to predict function from de novo protein sequences.

Search for short active protein sequences with demonstrated biological activities.

Search for ungapped segments corresponding to the most highly conserved regions of proteins.

Identify and measure surface accessible pockets as well as interior inaccessible cavities, for proteins and other molecules.

To search for catalytic residue annotation for enzymes in the Protein Data Bank.

Predict protein function using Gene Ontology.

Automatically calculate evolutionary conservation scores of key amino acid residues and map them on protein structures.

Mine the protein structure space.

Predict short linear motifs (3-8 residues) in a set of protein sequences.

A web client for visualizing protein sequence feature information using DAS.

Identify the domain architecture within a protein sequence.

Predict functional sites in eukaryotic proteins.

Use a collection of tools for protein analyses.

Predict potential protein post-translational modifications and find potential single amino acid substitutions in peptides.

Search for information related to the catalytic mechanisms of enzymes.

An integrated feature-based function prediction server for vertebrate proteomes.

Identify the closest matching PRINTS sequence motif fingerprints in a protein sequence.

Search for functional annotation of important sites in proteins with known structures.

Produce 3D conformations of small drug compounds.

A database presenting experiment-based results in human proteomics.

Conduct exhaustive intermediate profile searches of a set of homologous protein sequences.

Design protein mutations in site-directed mutagenesis.

Annotate protein using this integrated annotation resource.

Identify protein family (and DNA) domains, patterns, motifs, protein families, and functional sites.

Interactive forecasting of protein interaction hot spots.

Database containing pairs of structural analogs and their alignments.

Find sequence patterns in DNA and protein sequences.

A web server for knowledge-based modeling of protein-peptide complexes, specifically peptides in complex with major histocompatibility complex (MHC) proteins and kinases.

Find structural segments or motifs for protein structures.

Visualize protein sequence motifs on the 3D protein structures.

Find presence of any known protein motif (Prosite and Pfam) in a protein sequence.

Recognize spatial chemical binding patterns common to a set of protein structures.

Analyze proteins for the presence of N-terminal N-myristoylation site.

Find the presence of N-Glycosylation sites in human proteins.

Find the presence of O-GalNAc (mucin type) glycosylation sites in mammalian proteins.

Analyze eukaryotic proteins for the presence of serine, threonine and tyrosine phosphorylation sites.

Find possible kinase specific phosphorylation sites in eukaryotic proteins.

Predict cleavage sites at basic amino acid locations in neuropeptide precursor sequences.

Find information about patented nucleotide and protein sequences.

Search for information about glycoproteins with O-linked and C-linked glycosylation sites.

Find information about protein sequence annotations.

A server to predict protein active site residues.

Search for structural and functional information on the protein functional sites.

Search 3D protein fragments similar in structure to known active, binding and posttranslational modification sites.

Conduct genome wide functional and structural analysis.

Search for phosphorylation data of any protein of interest.

Search for information on prokaryotic proteins that undergo serine, threonine, or tyrosine phosphorylation.

Determine correct names for proteins.

Web application for predicting protein disorder by using physicochemical features and reduced amino acid set of a position-specific scoring matrix.

Find homologous protein-protein interactions across multiple species.

Search your query sequence against PROSITE pattern database for protein motifs.

Find information about protein-RNA complexes from the Protein Data Bank (PDB).

Identify protein families and domains for a given protein sequence.

A comprehensive database of pattern-recognition receptors and their ligands.

Search for short nucleotide or peptide sequences such as cis-elements in nucleotide sequences or small domains and motifs in protein sequences.

Database specialized in documenting human PPBD-containing proteins and PPBD-mediated interactions.

Predicts potential protease cleavage sites and sites cleaved by chemicals in a given protein sequence.

Predict combined transmembrane topology and signal peptides.

Search for eukaryotic phosphorylation sites.

Search for 3D structure and functional annotation of phosphorylation sites in proteins.

Search the database of in vivo phosphorylation sites of human and mouse proteins

Find information about polyglutamine (polyQ) repeats.

Find the presence of protein motifs and patterns in an amino acid sequence.

Predict signal peptide sequences and their cleavage positions in bacterial and eukaryotic amino acid sequences.

Predict protein functions based on known structures.

Predict the location of potential protein-protein binding sites for unbound proteins.

Identify short linear signatures in protein termini.

Analyze and identify newly obtained protein sequences.

Predict protein binding sites in a protein sequence based on geometrical analysis of protein tertiary substructures.

Search for evolutionarily conserved motif-like patterns in protein sequences.

Web-based server for analyzing and predicting RNA binding sites in proteins.

Search for similarities between proteins by simultaneous matching of multiple motifs.

Predict residues in protein sequences that determine the proteins' functional specificity.

Predict specificity-determining residues in protein families.

Find shared motifs in proteins with a common attribute.

Conduct in silico sumoylation sites prediction.

Search for motifs and patterns within protein sequences.

Search for motifs within proteins that are likely to be phosphorylated by specific protein kinases or bind to domains such as SH2 domains, 14-3-3 domains or PDZ domains.

Find information about populations carrying polymorphisms within protein binding pockets that make them susceptible to serious adverse drug reaction (SADR).

Search the presence of a motif in either amino acid sequence or nucleotide sequence.

Predict the presence of tyrosine sulfation sites in protein sequences

Look at protein structure from a ligand and binding site perspective.

Use a collection of bioinformatics tools at this portal site.

Find information about tandem repeats in proteins that carry fundamental biological functions and are related to a number of human diseases.

Find information about functional residues in alpha-helical and beta-barrel membrane proteins.

Database of domains and motifs with conservative location in transmembrane proteins.

Search for highly conserved and specific protein sequence motifs.

Predict functional sites in protein sequence alignments use different methodologies.

Find de novo protein motifs from chromatin immunoprecipitation data.

Scan query structures for functional sites in both proteins and nucleic acids.

Analyze quantitative structure-activity relationship of related protein families.

Search for ungapped alignments of highly conserved regions among a protein family or superfamily.

An expert system for predicting ligand-binding residues in protein structures.

Automatically identify spatially interacting motifs among distantly related proteins sharing similar folds and possessing common ancestral lineage.

]]> Neel