Questions tagged [schroedinger-software]
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2
questions
5
votes
1answer
53 views
How to calculate RMSD with GLIDE?
I need to calculate the RMSD between a co-crystallized ligand and my ligands and a non-co-crystallized ligand with GLIDE but I don't know how. Could someone explain to me how to do it? Many thanks in ...
10
votes
1answer
88 views
MM-GBSA from Induced Fit Docking on Maestro
How can an MM-GBSA(molecular mechanics energies combined with generalized Born and surface area continuum solvation) calculation be done from an induced fit docking (IFD) output?
I performed an IFD ...
