Sofia Mariasina

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Questions related from Sofia Mariasina

How to make Schrodinger Maestro 'FEP Protein Mutation' to recognize ligands?

I try to run 'FEP Protein Mutation for Ligand Selectiviry' function from Schrödinger Maestro. I uploaded different protein/ligand complexes from PDB and performed 'Protein Preparation Workflow',...

02 October 2024 2,453 0 View

Refinement of NMR structure with RDC gives calculated RDC values always higher, than observed ones. What kind of mistake could it be?

I calculated protein solution structure by NMR and now I'm doing structure refinement using RDC. My RDC values are scattered from -22 to 15. I obtained tensor parameters using REDCAT program (Da...

27 June 2020 2,377 3 View