Akhilesh Naik

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Questions related from Akhilesh Naik

How to dock compounds with Si to a protein using Pyrx software?

I have been trying to dock compounds consisting silicon(Ex-Octaphenylsilsesquioxane) with a protein but Pyrx throws up an error saying "Si" is not a valid Autodock type. Note that the Autodock...

30 January 2024 1,965 2 View

"Conformer generation is disallowed since too many atoms" or "too flexible" in PubChem 3D conformer. Can I perform docking with such compounds?

I wanted to convert few 2D compounds to 3D using Avogadro and then use them for docking. Are these ligands efficient for docking? Will I get accurate results. Thank you in advance.

30 January 2024 9,696 2 View