Hi Wei, I'm unsure if this will help, as i've never used it myself, but a former colleague in France is working on such a server?
http://2p2idb.cnrs-mrs.fr/ But as everyone else has stated, only use this in comparison to some hard physical data. Cheers, Mat ________________________________ From: Ed. Pozharski <[email protected]> To: [email protected] Sent: Thursday, 18 April 2013, 8:46 Subject: Re: [ccp4bb] Program or server to predict Kd from complex structure Don't believe such program/server does exist. Notice that you are asking for something that *can* predict Kd. One can *try* making such predictions and they may even be routinely in the ballpark, assuming that you are satisfied with being routinely off by, say, an order of magnitude. One can easily predict general trends. For example, larger buried apolar surface will generally result in lower Kd. As for individual Kd prediction accuracy, that's another story. It's unknown to me what your goal is, but if you are trying to replace experimental Kd determination with a magic program, please don't. Cheers, Ed. -------- Original message -------- From: Wei Liu <[email protected]> Date: 04/18/2013 4:39 AM (GMT-05:00) To: [email protected] Subject: [ccp4bb] Program or server to predict Kd from complex structure Dear all, Does anyone know a program or web server that can predict Kd value between two proteins from a solved complex structure? Regards Wei
