Molecular docking is a structure-based drug design method that predicts binding modes and affinities by studying the interactions of small molecule ligands with receptor biomolecules. Our pre-docking structural preparation includes receptor structures and small molecule compounds (libraries). Molecular docking calculations include conformational search and scoring evaluation, and result analysis services include docking conformation selection, binding mode analysis, scoring and force analysis.
Creative Enzymes offer a one-stop restraint enzyme molecular docking service that can meet your research needs for restriction enzyme research.
The rigid docking method does not change the conformation of the molecules involved in the docking process, but only changes the spatial position and attitude of the molecules. The rigid docking method is the most simplified and has a relatively small computational volume, and is suitable for dealing with docking between large molecules.
The semi-flexible docking method allows a certain degree of change in the conformation of small molecules during the docking process, but usually fixes the conformation of large molecules, and the adjustment of the conformation of small molecules may also be limited to a certain extent, such as fixing the bond lengths and bond angles of certain non-critical parts.
The flexible docking method allows the conformation of the studied system to change freely during the docking process. Since the variables grow geometrically with the atomic number of the system, the flexible docking method is very computationally intensive and consumes a lot of computer time, which is suitable for accurate examination of intermolecular recognition.
We used molecular docking approach to provide the two following services according to your scientific needs:
To study/predict the interactions between active small molecules and biomolecules to understand their mechanisms of action.
Quickly find potentially active small molecules from chemical databases to save experimental costs and improve hit rates.
Creative Enzymes offers a high quality restraint enzyme molecular docking service, the results of which can help researchers understand the details of how restriction enzymes interact with small molecules and can be used for drug screening to discover potential agonists or inhibitors for a disease, or to study target-drug interactions The results can be used for drug screening to discover potential therapeutic agents for a disease, or to study target-drug interaction patterns.
Creative Enzymes is a professional enzyme technology provider, supporting a variety of enzyme-related services. We are able to perform individual tests at the most precise level, as well as design and complete a suite of services as a solution to the subject project. Creative Enzymes has accumulated years of quintessence in the field of enzyme service, helping our clients accelerate drug discovery and development and improve the overall success rate of their projects. If you would like to know more about this service, please feel free to contact us.
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