Abstract
In recent years, in silico molecular-based docking techniques can improve the efficiency and different domains of research cost and other hits. Molecular docking has a key role in computer-aided drug design (CADD). Various key principles, tools, procedure, and application of molecular docking has been reported. Numerous paid and free tools are available for molecular docking analyses with a high level of biological data into scoring energy functions. MOE (molecular operating environment) is a drugbased visualization, simulation, docking, QSAR, and modeling software. MOE scientific domains are pharmacy, computational chemistry, biotechnology, and computational biology.
Keywords: CADD, Drug Design, MOE, Molecular Docking.
About this chapter
Cite this chapter as:
Sheikh Arslan Sehgal, Rana Adnan Tahir, Muhammad ` Waqas ;Ligand-Based Computational Molecular Docking Analysis, Quick Guideline for Computational Drug Design (Revised Edition) (2021) 1: 73. https://doi.org/10.2174/9789814998697121010009
DOI https://doi.org/10.2174/9789814998697121010009 |
Publisher Name Bentham Science Publisher |