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AligNet- A New Protein-Protein Interaction Network Aligner

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alignet: ppi network aligner

Protein-protein interactions (PPIs) are essential to study to understand the molecular functions carried out by a group of proteins. Alcala et al., [1] developed a new aligner software to provide biologically relevant alignments of PPI networks.

AligNet is based on a parameter-free pairwise alignment algorithm [1]. It provides biologically and topologically efficient alignments. AligNet algorithm focuses on structural matching and protein function conservation. It is implemented in the R language and is freely available to download from GitHub.

How AligNet works?

  1. AligNet takes two networks as input.
  2. It recognizes all nodes and creates a cluster for every node present in the networks separately.
  3. After that, it aligns both the clusters.
  4. Calculates the local alignment and selects the best-computed alignments.
  5. Later, it selects a well-defined local alignment amongst the rest of the computed alignments.
  6. Further,  it creates a global alignment out of the selected local alignment.
  7. As a result, it provides all aligned nodes.

The developing team has tested the performance of AligNet against the other state-of-the-art tools, namely, PINALOG [2], SPINAL [3], HubAlign [4], and L-GRAAL [5]. As a result, the AligNet performed better than the other aligners.

For further reading, click here.


References

  1. Alberich, R., Alcala, A., Llabrés, M., Rosselló, F., & Valiente, G. (2019). Alignet: alignment of protein-protein interaction networks. arXiv preprint arXiv:1902.07107.
  2. Phan, H. T., & Sternberg, M. J. (2012). PINALOG: a novel approach to align protein interaction networks—implications for complex detection and function prediction. Bioinformatics28(9), 1239-1245.
  3. Aladag˘,A.E. and Erten,C. (2013) Spinal: scalable protein interaction network alignment. Bioinformatics, 29, 917–924
  4. Hashemifar, S., & Xu, J. (2014). Hubalign: an accurate and efficient method for global alignment of protein–protein interaction networks. Bioinformatics30(17), i438-i444.
  5. Malod-Dognin, N., & Pržulj, N. (2015). L-GRAAL: Lagrangian graphlet-based network aligner. Bioinformatics31(13), 2182-2189.

Dr. Muniba is a Bioinformatician based in New Delhi, India. She has completed her PhD in Bioinformatics from South China University of Technology, Guangzhou, China. She has cutting edge knowledge of bioinformatics tools, algorithms, and drug designing. When she is not reading she is found enjoying with the family. Know more about Muniba

Docking

[Tutorial] Installing Pyrx on Windows.

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[Tutorial] Installing Pyrx on Windows.

Pyrx [1] is another virtual screening software that also offers to perform docking using Autodock Vina. In this article, we will install Pyrx on Windows. (more…)

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MD Simulation

How to solve ‘Could NOT find CUDA: Found unsuitable version “10.1”‘ error during GROMACS installation?

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How to solve ‘Could NOT find CUDA: Found unsuitable version “10.1”‘ error during GROMACS installation?

Compiling GROMACS [1] with GPU can be trivial. Previously, we have provided a few articles on the same. In this article, we will solve an error frequently occurring during GROMACS installation.

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Software

Installing Autodock4 on MacOS.

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Installing Autodock4 on MacOS

Previously, we installed the Autodock suite [1] on Ubuntu. Visit this article for details. Now, let’s install it on MacOS.

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Docking

How to install Autodock4 on Ubuntu?

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How to install Autodock4 on Ubuntu?

Autodock suite is used for docking small molecules [1]. Recently, Autodock-GPU [2] is developed to accelerate the docking process. Its installation is described in this article. In this tutorial, we will install Autodock 4.2.6 on Ubuntu.

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Software

DS Visualizer: Uses & Applications

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DS Visualizer: Uses & Applications

Discovery Studio (DS) Visualizer (from BIOVIA) is a visualization tool for viewing, sharing, and analyzing proteins [1]. Here are some uses and applications of DS Visualizer.

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Software

Protein structure & folding information exploited from remote homologs.

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protein structure & folding prediction using remote homologs

Remote homologs are similar protein structures that share similar functions, but there is no easily detectable sequence similarity in them. A new study has revealed that the protein folding information can be exploited from remote homologous structures. A new tool is developed to recognize such proteins and predict their structure and folding pathway. (more…)

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RNA-seq analysis

Pathonoia- A new tool to detect pathogens in RNA-seq data.

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Pathonoia- A new tool to detect pathogens in RNA-seq data.

Detecting viruses and bacteria in RNA-seq data with less false positive rate is a difficult task. A new tool is introduced to detect pathogens in RNA-seq data with high precision and recall known as Pathonoia [1].

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Software

AlphaFill- New algorithm to fill ligands in AlphaFold models.

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AlphaFill- New algorithm to fill ligands in AlphaFold models.

AlphaFold is a popular artificial intelligence based protein prediction tool [1]. Though it predicts good protein structures, it lacks the capability to predict the small molecules present in the structure such as ligands. For this purpose, AlphaFill is introduced by Hekkelman et al.,[2]. (more…)

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Software

How to calculate binding pocket volume using PyVol plugin in PyMol?

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How to calculate binding pocket volume using PyVol plugin in PyMol?

Previously, we provided a tutorial for PyVol plugin [1] installation. In this article, we will calculate the binding pocket volume of protein using the same plugin in PyMol [2]. (more…)

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Software

How to generate electron density map using Pymol?

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How to generate electron density map using Pymol?

Electron density maps are available for most of the protein structures in PDB. Therefore, in this article, we are using PDB to generate electron density maps in Pymol.

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Software

Installing PyVOL plugin in Pymol on Ubuntu (Linux).

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Installing PyVOL plugin in Pymol on Ubuntu (Linux).

PyVOL [1] is an excellent plugin of Pymol [2] for pocket visualization of proteins. In this article, we will install the PyVOL plugin in Pymol on Ubuntu. (more…)

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Software

How to execute matlab from terminal in Ubuntu (Linux)?

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How to execute matlab from terminal in Ubuntu (Linux)?

While trying to install Matlab [1], it generally gives an error stating “matlab: command not found.”. Here, we provide a solution to this error.

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Software

How to install Kpax on Ubuntu (Linux)?

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How to install Kpax on Ubuntu (Linux)?

Kpax is a bioinformatics program to search and align protein structures [1]. It is currently available for Linux platforms only. In this article, we are going to install the latest version of Kpax (5.1.3) on Ubuntu (Linux). (more…)

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Secondary structure

How to run do_dssp command (mkdssp) in Gromacs 2022?

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How to run do_dssp command in Gromacs 2022?

In the latest version of GROMACS (2022) [1], there are some issues regarding the gmx do_dssp command. Apparently, this command either does not run displaying a fatal error, or if it runs then it does not read any frame from MD simulation files. In this article, we are going to run the same command for GROMACS 2022. (more…)

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Software

Installing SMINA on Ubuntu (Linux).

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Installing SMINA on Ubuntu (Linux)

SMINA is a fork of AutoDock Vina supporting better scoring function and high-performance energy minimization [1]. In this article, we are going to install SMINA on Ubuntu (Linux). (more…)

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Software

How to install ClusCo on Ubuntu (Linux)?

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How to install ClusCo on Ubuntu (Linux)?

ClusCo is a bioinformatics software to perform clustering and comparison of protein models [1]. In this article, we are going to install ClusCo on Ubuntu (Linux). (more…)

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Software

How to run LigAlign plugin on Pymol?

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How to run LigAlign plugin on Pymol?

Running a plugin on an old version of Pymol [1] can give you multiple errors that are not easy to troubleshoot. For example, LigAlign plugin [2] runs on an old version of Pymol. Previously, we explained how to install LigAlign on Pymol. In this article, we will run the LigAlign command on Pymol. (more…)

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Software

How to install the LigAlign plugin on Pymol on Ubuntu (Linux)?

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How to install the LigAlign plugin on Pymol on Ubuntu (Linux)?

Few errors appear when we try to run the LigAlign plugin [1] in Pymol [2]. For example, if you try to run the ligand_alignment plugin, it will give you multiple errors including “Unable to initialize LigAlign v1.00“, or “can’t run LigAlign v1.00” or “incorrect Python syntax” or “Plugin has been installed but initialization failed“. In this article, we explain the reason for this issue and how you can rectify these errors. (more…)

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Software

How to install multiple Pymol versions on Ubuntu (Linux)?

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Installing multiple versions of Pymol on Ubuntu

Sometimes we need to access old versions of Pymol [1]. Running some plugins on Pymol is difficult due to Python incompatibility. New Pymol versions require Python 3.x whereas older versions run on Python 2.x. Therefore, we need to maintain multiple versions of Pymol on a single system. In this article, we will install Pymol 1.7.x along with the latest version (Pymol 2.5.2) on Ubuntu. Later, we will create shortcuts for them.

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Software

[Tutorial] Installing Pymol on Mac OS.

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installing pymol on mac os

Previously, we provided a tutorial for Pymol installation on Ubuntu. In this article, we are going to install Pymol on Mac OS. (more…)

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