Re: [ccp4bb] Optimising a Nanobody interface computationally to improve binding

2022-11-08 Thread Jonathan Elegheert
Hello, Indeed, Rosetta-ddG can evaluate the effect of residue mutations. Also, have a look at the program FoldX for per-residue evaluation of mutations (https://foldxsuite.crg.eu/). Then, there is the freeware webtool FireProt, its algorithm uses FoldX as a pre-filter to select beneficial

[ccp4bb] Optimising a Nanobody interface computationally to improve binding

2022-11-08 Thread Jonas Emsley
Dear all I have a protein engineering question. If you have a nanobody ligand complex structure is there a program that can use the crystal structure to suggest engineering improvements to give a tighter binding nanobody. It need not just be in the CDRs. Maybe rosetta can do this? Any