Dear Jerry,
Are there some better ways that I can validate the binding affinity?
I think it is possible to calculate the interacting energies by APBS... once you have the complex structure this is! Would be interesting to compare the values of the constants you get from ITC and SPR with the one of the more "theoretical" model with APBS...
HTH Kind regards. Leo ------------------------------------------------------------ Chavas Leonard, Ph.D. Research Associate ------------------------------------------------------------ Faculty of Life Sciences The University of Manchester The Michael Smith Building Oxford Road Manchester Lancashire M13 9PT ------------------------------------------------------------ Tel: +44(0)161-275-1586 e-mail: [EMAIL PROTECTED]
