Docking is a mechanism to analyze the interaction of two or more molecular structures (i.e., receptor and ligand).

Virtual Screening Methodology for Structure-based Drug Designing


Virtual High Throughput Screening (vHTS), also known as Virtual Screening (VS) is one of the essential steps involved in in-silico drug designing. There are several bioinformatics tools that facilitate the virtual screening of thousands of compounds such as GOLD, GLIDE, Autodock Vina, and so on.

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Video Tutorial: Virtual Screening using Autodock Vina


This is a video tutorial of our existing article.

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Beginner’s Guide for Docking using Autodock Vina


We have compiled all articles on docking into a Special Issue. This is a complete guide on molecular docking using Autodock Vina for beginners. It includes blind docking, site-specific docking, installation, output analysis, and so on. Keep Reading

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