Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties

Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties

We present an approach to assess antibody CDR-H3 loops according to their dynamic properties using molecular dynamics simulations. We selected six antibodies in three pairs differing substantially in their individual promiscuity respectively specificity. For two pairs of antibodies crystal structure...

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Bibliographic Details
Main Authors: Monica L. Fernández-Quintero, Johannes R. Loeffler, Johannes Kraml, Ursula Kahler, Anna S. Kamenik, Klaus R. Liedl
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-01-01
Series:Frontiers in Immunology
Subjects:
antibodies
CDR-H3 loop
affinity maturation
molecular dynamics
enhanced sampling
conformational selection
Online Access:https://www.frontiersin.org/article/10.3389/fimmu.2018.03065/full

Internet

https://www.frontiersin.org/article/10.3389/fimmu.2018.03065/full

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