Pousali Mitra

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Which factors should be the main reasons to explain ligand stability in binding pocket except counting interactions?

I have docked some ligands with target (protein). I observed that, ligands which have more hydrogen bonds and hydrophobic interactions with protein give poor binding energy (less negative)....

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What is the reason that in Maestro, job is died automatically?

I am started to working with Schrodinger software. In Maestro no application is working here. When I applied ligprep tool under Maestro the job is automatically died. I can't understand how to...

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