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Installing MODELLER on Linux/Ubuntu

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MODELLER is a software package which is used to predict protein three-dimensional structures [1,2]. MODELLER can be used for other tasks such as modeling of loops in proteins, multiple alignments of structures, comparison of protein structures, and many others. In this article, I will explain how to install MODELLER on Linux/Ubuntu. Continue reading “Installing MODELLER on Linux/Ubuntu” »

How to perform blind docking using AutoDock Vina?

in Docking/Drug Discovery/Softwares/Tools by

Blind docking is done when the catalytic/binding residues are unknown in a protein, hence, the binding pocket is unknown. In a previous article, we showed how to perform site-specific docking using Autodock Vina, where we bound a ligand in a catalytic pocket of a protein. Now, this article will cover the blind docking using Autodock Vina. Continue reading “How to perform blind docking using AutoDock Vina?” »

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