[Users-list] LBVS on Glue

[bije at iqsc.usp.br]

Dear Glue users,

I got some difficulties when trying to use Glue for LBVS. Actually I did
not understand how the program works in this case. I followed the SBVS
tutorial and everything went fine, but as far as I know there is no
tutorial for LBVS. My doubt is: Should I prepare the pharmacophoric points
for the ligand used as query as if it were the target molecule in the case
of SBVS? Thanks in advance If someone give me some tips about how to do
that!

I am grateful for any help!


Josmar Rocha
Núcleo de Estudos em Química Medicinal de Produtos Naturais - NEQUIMED
Universidade de São Paulo – Instituto de Química de São Carlos – SP - Brazil