Dear Shahab Yes,when you compute delta Gibbs energy of binding ,You can compute binding constant(Kd or Ki) by thermodynamics relations as Dr.Justin said.
I think both methods can be applied to any systems which you wish to have its binding free energy. (including protein-protein,protein-ligand ,protein-Nucleic Asids and ligand-Nucleic asids) Best On Tue, May 17, 2011 at 5:00 PM, shahab shariati <[email protected]>wrote: > Dear Justin > > thanks for your attention > > *Do you mean binding constants? * > > yes, I mean Ka or Kd. > > > what about protein-dna complex? can I use PMF or TI for that to obtain > binding free energy? > > > best wishes > > > > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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