Search found 2 matches

by cfas
Sat Oct 23, 2021 8:56 pm
Forum: Main Forum
Topic: Should I add missing hydrogen atoms in the protein structure predicted by I-TASSER?
Replies: 3
Views: 1790

Re: Should I add missing hydrogen atoms in the protein structure predicted by I-TASSER?

Thank you. I'm doing molecular docking and molecular dynamics simulations, I was just uncertain whether I-TASSER added all the relevant H atoms or if I should add the missing ones. For example, when I download a model predicted by I-TASSER and view it in PyMOL or Sybyl, it contains H atoms, but not ...
by cfas
Sat Oct 23, 2021 2:47 pm
Forum: Main Forum
Topic: Should I add missing hydrogen atoms in the protein structure predicted by I-TASSER?
Replies: 3
Views: 1790

Should I add missing hydrogen atoms in the protein structure predicted by I-TASSER?

Hello, I have recently started using I-TASSER for predicting some protein structures. However, after downloading the results, I noticed that some hydrogen atoms were not present in the models, but I'm unsure whether these atoms were absent either because 1) the structures were predicted considering ...