ADL: boron containing ligands

Paola Lupieri paola.lupieri at gmail.com
Fri Feb 1 10:05:44 PST 2008


Dear all,

I'm trying to dock some boron-containing ligands to human thymidine kinase
1, but I have found no parameters for boron in the library files. Do you
know how could I make Autodock understand the atom-type of boron? Is there a
way? Have you found some fitting parameters for that or have you, for
example put some kind of dummy carbon in the place of boron?

If you have suggestions I would be grateful :)
Best wishes!!!

Paola


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