Rationalization and Design of the Complementarity Determining Region Sequences in an Antibody-Antigen Recognition Interface

Abstract excerpt

Protein-protein interactions are critical determinants in biological systems. Engineered proteins binding to specific areas on protein surfaces could lead to therapeutics or diagnostics for treating diseases in humans. But designing epitope-specific protein-protein interactions with computational atomistic interaction free energy remains a difficult challenge. Here we show that, with the antibody-VEGF (vascular...

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