On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations
Simone Conti; Edmond Y. Lau; Victor Ovchinnikov · 2022 · Antibodies
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract
The accurate and efficient calculation of protein-protein binding affinities is an essential component in antibody and antigen design and optimization, and in computer modeling of antibody affinity maturation. Such calculations remain challenging despite advances in computer hardware and algorithms, primarily because proteins are flexible molecules, and thus, require explicit or implicit incorporation of multiple conformational states into the computational procedure. The astronomical size of the amino acid sequence space further compounds the challenge by requiring predictions to be computed
Abstract by Simone Conti; Edmond Y. Lau; Victor Ovchinnikov, Antibodies (2022) — licensed CC BY 4.0.
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Metadata source: OpenAlex · DOI 10.3390/antib11030051