TEMA:

ligand with fused atom 4 años 10 meses antes #11154

HarryJenkins
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Hi,

I have some problems with ligand used for the docking. This small molecule is an HIV-1 protease inhibitor called tipranavir, characterized by 13 active bonds.Analyzing the results I find aberrant structures with fused atom. What is the problem? My ligand input file?

Please help.

I didn't find the right solution from the Internet.

References:-
mgl.scripps.edu/forum/viewtopic.php?f=9&t=1463
Medical Animation Examples

Thanks

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