As a QM run is much slower than an MM run, does QM offer any substantial advantage for biologic systems (eg receptor/ligand) and if so in which cases?

Kleanthis P Xanthopoulos @Kleanthis_Xanthopoulos

12 December 2016 0 6K Report

For example, I have a receptor/ligand system and I am using Desmond Schrodinger, is there any advantage to change to Jaguar Schrodinger? That advantage of course should be large enough in order for the slower computation to be worth it

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