AutoDock, a Powerful Molecular Docking Software

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57 views 7 March 2023
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CD ComputaBio, a reliable computational biology service provider in New York, is committed to assisting research and trials, as well as providing access to the latest software, technologies, and expertise at competitive prices and with fast turnarounds for researchers. The company is ready to support your molecular docking projects with its innovative AutoDock software.

Autodock is an open-source molecular simulation software mainly used to perform ligand-protein molecular docking. It is developed and maintained by the Olson Laboratory of the Scripps Research Institute, and the latest version is AutoDock 4.2. In addition, its graphical user interface (GUI) tool is AutoDockTools (ADT), and its second-generation product is AutoDock Vina.

Molecular docking is a key technique used in drug discovery and development, and it involves computationally predicting the binding of small molecules with the protein of interest. By accurately predicting the binding of small molecules, researchers can screen and identify potential drug candidates, optimizing molecular properties that improved efficacy and safety. As a widely used and trusted molecular docking software, AutoDock simplifies molecular docking simulations and improves the accuracy of drug development. This software is widely used by researchers to simulate and predict the interaction between small molecules and the protein of interest, a fundamental technique for drug discovery and development.

“On the AutoDock software platform, we adopt an interdisciplinary approach, bringing structural biology, computational modeling, visualization, and biomedical applications together to provide one-stop services for researchers from various industries.” said the spokesperson of CD ComputaBio. “We believe this software will greatly enhance and accelerate molecular docking projects for researchers and ultimately lead to the discovery of effective and innovative drugs.”

AutoDock includes but is not limited to the following applications:
• X-ray crystallography
• Structure-based drug design
• Lead compound optimization
• Virtual screening
• Combination library design
• Protein-protein docking
• Chemical mechanism research

CD ComputaBio offers a range of computational biology services to support drug discovery and development projects. These services include molecular modeling, bioinformatics, and structural biology. The company’s team of experienced scientists is well-equipped with knowledge and expertise in the field of computational biology and is committed to providing high-quality and reliable services to its clients.

About CD ComputaBio
With years of experience, CD ComputaBio has become a professional computational biology service provider. The company can support customers with comprehensive computational biology analytical services covering molecular dynamics simulation, drug design, virtual screening, quantum chemical calculation, etc., utilizing its extensive experience and powerful technologies in computational science.

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CD ComputaBio

Experts at CD ComputaBio can solve different computational biology problems for you. We conduct services in molecular dynamics simulation, drug design, virtual screening, quantum chemical calculations, and etc. Read more