Nur Shima Fadhilah Mazlan

2 Questions 5 Answers 0 Followers

Questions related from Nur Shima Fadhilah Mazlan

What should I look for in a visualized docked compound and what are the criteria used in finding the best docking result?

I'm currently using AutoDock software in running my docking simulation. I had opened .dlg file to do some analysis in terms of number of hydrogen bonds formed, binding energy, etc. I've also...

27 July 2012 1,932 5 View

Optimizing ligands before running molecular docking simulation

Do I really need to optimize the ligands or redraw the ligands using software such as Marvin Sketch? If I take the ligand's structure from PUBCHEM (http://pubchem.ncbi.nlm.nih.gov/ ), do I need...

04 July 2012 8,130 28 View