I am a beginner in molecular docking system, I want to know whether my compound or molecule has effect on a particular protein, for ex: on Hemoglobin, so I am using Autodock vina and chimera software, first i selected my compound and built the structure after that i selected the hemoglobin protein. Now i don't know how to proceed forward to know affinity and all, even i did Doc prep also, but after that i dont know how to give the values that the molecule should show where the interaction will occur..... and also give me detailed beginner guide to molecular docking used in pharmaceutics...
HI...
You can check out the attached link
https://www.youtube.com/watch?v=CmD5JhABPwI
Hello Lokesh,
In addition to Anu's suggested video, you can also watch this (https://www.youtube.com/watch?time_continue=13&v=-GVZP0X0Tg8) tutorial available on Vina's official site. The tutorial will guide you to perform docking in a very comprehensible way. And you can also ask for help at whatever point you stuck (Hope you don't).
Best Wishes
To study the effect of your compound on protein, you must perform the dynamics simulations for more clarity and mode of action. In docking, you will get some results with any ligand and receptor, so you can also try to change the docking parameters and software for better results.
Need potential contribution regrding molecular docking. Can you please help us out with credible references?
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