Molecular Docking Server

My lingad in Agonist or Antagonist
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Author:  vishalshounik [ Mon Dec 23, 2013 8:39 am ]
Post subject:  My lingad in Agonist or Antagonist

Dear Colleagues

Can any one help me to clarify my below queries

1.How can I understand that my ligand is activator or inhibitor after docking?

2.How to interpret Docking results?

3.After docking process, I have find several poses which pose i need to consider and which binding energy values i can say are the best binding ?along with energy values am i need to consider any another factors?

4.Are there any binding energy Ranges Values ,As i can say it is agonist or antagonist/activator or inhibitor?

5.What is Bump what are the advantages of Bumps after docking ?If there are more bumps after docking how to conclude?at the same time less bumps?

6.Significance of More hydrogen bonds and less hydrogen bonds and length of the hydrogen bonds also plays roles in best binding pose or binding energy after docking ?



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