Summary
Selectivity, specificity, and conformational constraints can be encoded in loss functions during protein design. Design objectives such as selectivity, specificity, ligand discrimination, and conformational responsiveness can be expressed as loss functions in protein design workflows (1).
Figures
Ref (1)
See also
- Loss functions
- Protein dynamics can be used as filtering criteria for the design of highly selective small molecules
- Dynamics and specificity are inversely related
1.
Jing B, Bafna M, Parsan A, Ni HM, Kwabi-Addo D, Bryson B, et al. SwitchCraft: A Programmatic Framework for Designing State-Switching Proteins. arXiv; 2026. Available from: https://arxiv.org/abs/2605.31236