Re: [ccp4bb] solvent excluded area and binding affinity

2010-04-01 Thread Eugene Krissinel
PISA can give you such estimate, you may try standalone pisa in CCP4 or on-line (google on "EBI PISA") Eugene On Thu, Apr 1, 2010 at 8:36 AM, Mike England wrote: > Hi All, > > I would greatly appreciate your comments on following: > > I would like to know the quantitative relation between "Solv

[ccp4bb] solvent excluded area and binding affinity

2010-04-01 Thread Mike England
Hi All, I would greatly appreciate your comments on following: I would like to know the quantitative relation between "Solvent excluded area" (calculated by Areaimol at CCP4i) and "free energy of binding" or "binding affinity" of the DNA-protein or protein-protein interactions. Is there some free