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Hello. I am trying to dock a metal complex with urease protein using PyRx and discovery studio. However, the file conversion from .cdx to .pdb and then to .pdbqt, I see some bonds and rings...
02 July 2024 9,238 3 View
I want to increase the number of conformations which is by default 10. I want to get 100 conformations of a single ligand. Is it possible using autodock vina or any other software?
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Hello there! I am trying to dock ZIF-8 (MOF) with the drug doxorubicin using PyRx and discovery studio for visualization of results. My queries are: 1. When I convert .cif file to .pdb using...
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