Online Chemical e-Laboratory

ChemoSophia is a project for online calculations of molecules and molecular systems. The project was created by Principal Scientist at South Ural State University, Dr. Maria Grishina, and her former colleague, Dr. Vladimir Potemkin. Dr. Vladimir Potemkin is no longer with us. Dr. Maria Grishina has great respect for Dr. Vladimir Potemkin's contribution and wants both her own work and his to be available to scientists around the world. Dr. Maria Grishina is grateful to Andrey Potemkin for creating ChemoSophia website.
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ChemoSophia - Video guide

You can download our AlteQ orbital-free method for assessing complementarity of receptor-ligand complexes and 3D map of electron density here:

AlteQ_map_enzyme_ligand for Windows 27 Feb 2021

AlteQ_map_enzyme_ligand for Linux 27 Feb 2021

Supporting information and examples of maps

Register now to start your own AUTOMATIC computations for FREE using our Online Available Software . Login, upload your chemical structure in SDF format (you can use OpenBabel to convert molecules into SDF from other formats), select necessary software and start computations. Result files will appear on the right in My ChemoSophia.

Have a problem with results of computations? Write to Support Team and we will help you.

Now we are calculating 1820 molecules
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