Hello, i am looking for an expert in protein-ligand docking to assist me with a project. I wish to dock two ligands to the delta, mu and kappa opioid receptors (the crystal structures of these receptors are known and are available on rcsb pdb). I have experimental ic50 values for each of the 2 well-known ligands (structural analogues) interacting with with each of the 3 opioid receptors. I would like an expert to help to help explain why these 2 structural analogues behave quite differently when docked to the opioid receptors (greater than 10-fold differences in ic50 values). I can provide the experimental ic50 data. High quality color figures (such as in crystal structure of the âµ-opioid receptor bound to a morphinan antagonist nature. 2012 mar 21;485(7398):321-6) are needed, along with a figure which clearly identifies the key amino acid (or water) interactions. Any additional information to help explain the differences in potency (e.G. Energetics, electrostatics etc..) would also be great. An overall showing how the 2 ligands interact when docked to the 3 proteins would be good too. A time and price estimate would be appreciated. Thank you.
Antonio |Staff Scientist
I have a great deal of expertise in this area. Please contact me here if you are interested in talk...1.2 Hours Later
Nilesh |Senior Scientist
Hi I can do this job to your ***** total cost of job will be around five hundred us dolla...4 Hours Later
Hi, I want to ask from where you have the IC50 values, and how they were determined? Is it cor...5.1 Hours Later