David Cabezas González

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Questions related from David Cabezas González

How to correct structural error in output ligand-receptor complex Autodock?

Hello everyone. I have a problem whit this docking made in Autodock Tools. The ligand is paraoxon, but when I try to convert pdbqt format to pdb the phosphate group takes a strange form (view the...

11 April 2023 7,833 3 View

How to calculate pi-pi interactions in protein-ligand complex using VMD?

I have been told that I should calculate the center of mass of the rings and the angles. I was able to calculate the center of mass but not the center's normal angle. Could anyone help me?

05 June 2021 6,308 4 View