In addition to what was rightly said, the problem is actually on both,
theoretical and experimental, ends. What is taken as "experimental
value" is not very well defined, and figures may vary quite
significantly, simply because enthalpy change depends on the precise
chemical environment your protei
, July 22, 2010 1:51 PM
*To:* CCP4BB@JISCMAIL.AC.UK
*Subject:* [ccp4bb] which software can calculate binding energy
Dear All
I have been using the Autodock software for docking the drug candidate
compounds into the receptor structures. I would like to calculate
accurately the binding energy. Would
Subject: [ccp4bb] which software can calculate binding energy
Dear All
I have been using the Autodock software for docking the drug candidate
compounds into the receptor structures. I would like to calculate accurately
the binding energy. Would anyone introduce me a software?
Any help would be
Dear All
I have been using the Autodock software for docking the drug candidate
compounds into the receptor structures. I would like to calculate accurately
the binding energy. Would anyone introduce me a software?
Any help would be greatly appreciated.
Best
Min
