Side chain modelling
http://edamontology.org/operation_0480
Model, analyse or edit amino acid side chain conformation in protein structure, optimize side-chain packing, hydrogen bonding etc.
Synonyms: Antibody optimisation, Protein modelling (side chains), Rotamer likelihood prediction, Antigen resurfacing, Antigen optimisation
Term info
operations, edam
beta12orEarlier
This includes rotamer likelihood prediction: the prediction of rotamer likelihoods for all 20 amino acid types at each position in a protein structure, where output typically includes, for each residue position, the likelihoods for the 20 amino acid types with estimated reliability of the 20 likelihoods., Methods might use a residue rotamer library., Antibody optimisation is to optimize the antibody-interacting surface of the antigen (epitope). Antigen optimisation is to optimize the antigen-interacting surface of the antibody (paratope). Antigen resurfacing is to resurface the antigen by varying the sequence of non-epitope regions.