Tuesday, March 4, 2014

Mcule Research Accelerator Program

Mcule accelerates early-phase drug discovery by its integrated molecular modeling tools, computational capacity and high-quality compound database. In the framework of our Mcule Research Accelerator Program, we are providing powerful molecular modeling tools (e.g. large-scale docking, diversity selection, scaffold hopping with FTrees Visual Similarities) plus computational capacity for free for the best applicants. Continue reading for more details:

Academic life is very busy. Doing research and teaching at the same time, working on grant applications or PhD thesis. Time is running fast and it is difficult to cope with all tasks and duties. We think that Mcule can spare you a lot of time by accelerating your drug discovery research projects. How does it work? The integrated Mcule platform can be quickly set up to run virtual screens on millions of commercially available compounds by using molecular modeling tools. Everything is online and can be executed by just a few clicks. For example, take a look at the following workflow:

This is a huge funnel. On the top you can set the input molecule collection (e.g. the full Mcule database containing over 5 million purchasable compounds). At the bottom, you can define the output. In the middle you can set filters that will keep the desired molecules only. You can set physicochemical property filter, eliminate compounds containing potentially toxic substructures (REOS filter), apply diversity selection (to eliminate close analogs and generate a diverse set of scaffolds), molecular docking to find ligands that fit to the binding site of your target and more. All your search results and workflows are automatically stored in your profile.

We already have a free package that you can sign up for here. In the Accelerator Program, we provide an elevated tool and limit set. Please note that the limits can be adjusted to your project needs, but here is what we offer by default.

After identified the virtual hits (ligand candidates), you can generate the best price and fastest delivery time quotes for the compounds by just a few clicks. Read more on Instant Quote.

Interested? Please submit research project plans (1 page max) to info@mcule.com (subject: Application to Research Accelerator Program).

In case you need help for the first steps, you can check the Mcule documentation for more information. Need help? Feel free to contact us and we will guide you through the first steps.

See the official website of the Accelerator Program.


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