Side chain modelling

Protein modelling (side chains)

Antigen optimisation

Antibody optimisation

Rotamer likelihood prediction

Antigen resurfacing

Model, analyse or edit amino acid side chain conformation in protein structure, optimize side-chain packing, hydrogen bonding etc. Methods might use a residue rotamer library. 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. 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.

http://edamontology.org/operation_0480

Methods might use a residue rotamer library.

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.

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.

beta12orEarlier

Model, analyse or edit amino acid side chain conformation in protein structure, optimize side-chain packing, hydrogen bonding etc.

Protein modelling (side chains)

Antigen optimisation

Antibody optimisation

Rotamer likelihood prediction

Antigen resurfacing

http://edamontology.org/bio

http://edamontology.org/operations

Side chain modelling

operation_0480

Side chain modelling

http://edamontology.org/operation_0477