Unraveling the Allosteric Communication Mechanisms in T-Cell Receptor–Peptide-Loaded Major Histocompatibility Complex Dynamics Using Molecular Dynamics Simulations: An Approach Based on Dynamic Cross Correlation Maps and Residue Interaction Energy Calculations-Reference-Cited by-同舟云学术

Unraveling the Allosteric Communication Mechanisms in T-Cell Receptor–Peptide-Loaded Major Histocompatibility Complex Dynamics Using Molecular Dynamics Simulations: An Approach Based on Dynamic Cross Correlation Maps and Residue Interaction Energy Calculations

Published:2021-04-30 Issue:5 Volume:61 Page:2444-2453
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bingöl Elif Naz¹,Serçinoğlu Onur²^ORCID,Ozbek Pemra³^ORCID

Affiliation:

1. Department of Bioengineering, Institute of Pure and Applied Sciences, Marmara University, 34722 Istanbul, Turkey

2. Department of Bioengineering, Faculty of Engineering, Gebze Technical University, Kocaeli 41400, Turkey

3. Department of Bioengineering, Faculty of Engineering, Marmara University, Istanbul 34722, Turkey

Funder

T?rkiye Saglik Enstit?leri Baskanligi

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00338

Reference64 articles.

1. Molecular Interactions Mediating T Cell Antigen Recognition

2. Mechanisms for T cell receptor triggering

3. TCR Signaling Emerges from the Sum of Many Parts

4. Early T Cell Activation: Integrating Biochemical, Structural, and Biophysical Cues

5. Thermodynamics of T‐cell receptor–peptide/MHC interactions: progress and opportunities

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