Take the 2-minute tour ×
Chemistry Stack Exchange is a question and answer site for scientists, academics, teachers and students. It's 100% free, no registration required.

For docking calculations at different values of pH, I am working with flavonoids and would like to know about any software/server that can prepare ligands depending on the pH. Up to now I read about Maestro (Schrodinger) but it is too expensive for us. I wonder if you could suggest other alternatives.

share|improve this question

1 Answer 1

For this, you can try to use the LigpKa database server.

share|improve this answer
Could you expand on your answer a bit to say why this would be a good choice, please? –  jonsca Feb 13 '13 at 3:21
Well, mainly, because it seems as if there is no big spectrum of available software for the task at hand. So it's a good suggestion in that it's maybe the only option. But I have no experience using it. –  TMOTTM Feb 13 '13 at 9:52
Understandable. It's just better to have some substance with the answer, as I don't know if you chose it because it has the best XYZ, the most reliable W, or because you like the splash screen. ;) Anyway, anything you know about it would be helpful to future readers of the question, is all. –  jonsca Feb 13 '13 at 22:55

Your Answer


By posting your answer, you agree to the privacy policy and terms of service.

Not the answer you're looking for? Browse other questions tagged or ask your own question.