Friederike Leßmöllmann

2 Questions 3 Answers 0 Followers

Questions related from Friederike Leßmöllmann

How do I calculate RESP charges for AMBER MD simulations correctly?

Hello everybody, I would like to perform MD simulations of protein-ligand-complexes using AMBER22 and I need some advise on how to calculate RESP charges for the ligands using Gaussian16. I know...

22 August 2023 1,601 0 View

Is there an explanation about the Ligand-Protein-Interactions in Biova Discovery Studio?

Hi everybody! I would like to know the rules for Protein-Ligand-Interactions in Discovery Studio. For example, what is the distance cutoff value for hydrogen bonds? Or what is the tolerance...

03 December 2019 4,496 6 View