Entering edit mode
3.6 years ago
cnrahul
•
0
I got 5 confirmations of ligands (from clustering histogram) in docking, which among the 5 should be taken for simulation. The 5 conformations in the cluster, with the highest binding energy (lowest Ki). My doubt is among these five poses/conformations, how to choose that pose for further simulation or can I choose any pose for that ? Since am a beginner in this, hope you ll help me out.