List of the wild-type and the corresponding mutant PDB structures of TCR:pMHC complexes that compose the benchmark for binding affinity calculations with MM/PBSA.

<p>The table includes the experimental ΔG (in kcal/mol) for each complex and the corresponding ΔΔG (ΔG<sub><i>mut</i></sub>—ΔG<sub><i>wt</i></sub>). All experimental data was collected from ATLAS database (<a href="https://atlas.wenglab.org/" target="_blank">https://atlas.wenglab.org/</a>).</p> <p>(PDF)</p>

Publication Details

Journal
Figshare
Published
2024-09-30
DOI
https://doi.org/10.1371/journal.pcbi.1012489.s035
Primary Topic
Metal-Catalyzed Oxygenation Mechanisms
Type
article
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article

List of the wild-type and the corresponding mutant PDB structures of TCR:pMHC complexes that compose the benchmark for binding affinity calculations with MM/PBSA.

Figshare
Metal-Catalyzed Oxygenation Mechanisms
article

List of the wild-type and the corresponding mutant PDB structures of TCR:pMHC complexes that compose the benchmark for binding affinity calculations with MM/PBSA.

article en

Abstract

<p>The table includes the experimental ΔG (in kcal/mol) for each complex and the corresponding ΔΔG (ΔG<sub><i>mut</i></sub>—ΔG<sub><i>wt</i></sub>). All experimental data was collected from ATLAS database (<a href="https://atlas.wenglab.org/" target="_blank">https://atlas.wenglab.org/</a>).</p> <p>(PDF)</p>

Figshare
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Metal-Catalyzed Oxygenation Mechanisms
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List of the wild-type and the corresponding mutant PDB structures of TCR:pMHC complexes that compose the benchmark for binding affinity calculations with MM/PBSA. · Figshare (2024) | TGRS Research Map | TGRS