Gromacs [1] is one of the most widely used software for molecular dynamics (MD) simulation of macromolecules. One of the previous articles, explains the installation of Gromacs on Ubuntu. This article is about the execution of Gromacs simulating a simple protein. This is a simple tutorial for MD simulation of a protein. Continue reading “Tutorial: Molecular dynamics (MD) simulation using Gromacs” »
The discovery studio (DS) visualizer [1] offers several features for analyzing docking results. In previous articles (“Tutorial: Vina Output Analysis Using PyMol” and “Video Tutorial: Autodock Vina Result Analysis with PyMol“), the analysis of Autodock Vina [2] result using the Pymol viewer [3] was explained. In this article, the Autodock Vina result is being analyzed in the DS visualizer [1]. Continue reading “Vina output analysis using Discovery Studio visualizer” »
Prottest3 is a software which is used to select a best-fit amino acid replacement model for a set of protein sequences [1]. ProtTest3 finds a best-fit model on the basis of the smallest value of one of three criterions: Akaike Information Criterion (AIC), Corrected Akaike Information Criterion, Bayesian Information Criterion (BIC) score or Decision Theory Criterion (DT) selected by the user. In this article, we will learn how to download and install the command-line version of ProtTest3 on Ubuntu. Continue reading “Installing and executing ProtTest3 on Ubuntu” »