Molecular Dynamics Methods for Antibody Design

Matthew Carter Childers; Valerie Daggett

doi:10.1007/978-1-0716-2609-2_5

Molecular Dynamics Methods for Antibody Design

Methods Mol Biol. 2023:2552:109-124. doi: 10.1007/978-1-0716-2609-2_5.

Authors

Matthew Carter Childers¹, Valerie Daggett²

Affiliations

¹ Department of Bioengineering, University of Washington, Seattle, WA, USA.
² Department of Bioengineering, University of Washington, Seattle, WA, USA. daggett@uw.edu.

PMID: 36346588
DOI: 10.1007/978-1-0716-2609-2_5

Abstract

Complex and coordinated dynamics are closely connected with protein functions, including the binding of antibodies to antigens. Knowledge of such dynamics could improve the design of antibodies. Molecular dynamics (MD) simulations provide a "computational microscope" that can resolve atomic motions and inform antibody design efforts.

Keywords: Antibodies; Molecular dynamics simulation; Protein design; Protein dynamics.

MeSH terms

Antibodies* / chemistry
Antigens
Molecular Dynamics Simulation*
Protein Conformation
Proteins / chemistry

Substances

Antibodies
Antigens
Proteins