Antibodies and antibody-derived macromolecules have established themselves as the
mainstay in protein-based therapeutic molecules (biologics). Our knowledge of the structure …

The use of monoclonal antibodies as therapeutics requires optimizing several of their key
attributes. These include binding affinity and specificity, folding stability, solubility …

Motivation Understanding the relationship between the sequence, structure, binding energy,
binding kinetics and binding thermodynamics of protein–protein interactions is crucial to …

A structural-bioinformatics-based computational methodology and framework have been
developed for the design of antibodies to targets of interest. RosettaAntibodyDesign (RAbD) …

Antibodies are multimeric proteins capable of highly specific molecular recognition. The
complementarity determining region 3 of the antibody variable heavy chain (CDRH3) often …

Predicting changes in protein binding affinity due to single amino acid mutations helps us
better understand the driving forces underlying protein-protein interactions and design …

Recent clinical trials using antibodies with low toxicity and high efficiency have raised
expectations for the development of next-generation protein therapeutics. However, the …

Antibodies are used extensively in diagnostics and as therapeutic agents. Achieving high-
affinity binding is important for expanding detection limits, extending dissociation half-times …

Antibodies (Abs) are a crucial component of the immune system and are often used as
diagnostic and therapeutic agents. The need for high‐affinity and high‐specificity antibodies …

Current progress in computational structure-based protein design is reviewed in the areas of
methodology and applications. Foundational advances include new potential functions …