How to perform molecular docking analysis of newly synthesized compounds?
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9.1 years ago
Neha shri ▴ 30

Hello everyone,

I have been given a set of newly synthesized compounds for which I have to find their interaction with the target protein structure. using molecular docking. I am new to drug design. Please point me towards how to generate 3d conformers of newly synthesized compounds and use them for docking? Any help will really be appreciated.

docking compounds ligands • 2.3k views
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Did you find out about it. I am new and I have been allotted research on metabolization of insecticides by cytochrome p450 in insects. I cant find structure data on the protein. Can you help me on this?

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