In silico specificity determination of neoantigen-reactive T-lymphocytes

Тип документаJournal Article
Дата публикации2021-01-01
Название журналаBiomeditsinskaya Khimiya
ИздательRossiiskaya Akademiya Meditsinskikh Nauk
КвартильQ3
ISSN23106905
  • General Biochemistry, Genetics and Molecular Biology
  • General Medicine
Краткое описание

Effective personalized immunotherapies of the future will need to capture not only the peculiarities of the patient’s tumor but also of his immune response to it. In this study, using results of in vitro high-throughput specificity assays, and combining comparative models of pMHCs and TCRs using molecular docking, we have constructed all-atom models for the putative complexes of all their possible pairwise TCR-pMHC combinations. For the models obtained we have calculated a dataset of physics-based scores and have trained binary classifiers that perform better compared to their solely sequence-based counterparts. These structure-based classifiers pinpoint the most prominent energetic terms and structural features characterizing the type of protein-protein interactions that underlies the immune recognition of tumors by T cells.

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1. Kniga A.E., Polyakov I.V., Nemukhin A.V. In silico specificity determination of neoantigen-reactive T-lymphocytes // Biomeditsinskaya Khimiya. 2021. Т. 67. № 3. С. 251–258.
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TY - JOUR

DO - 10.18097/pbmc20216703251

UR - http://dx.doi.org/10.18097/PBMC20216703251

TI - In silico specificity determination of neoantigen-reactive T-lymphocytes

T2 - Biomeditsinskaya Khimiya

AU - Kniga, A.E.

AU - Polyakov, I.V.

AU - Nemukhin, A.V.

PY - 2021

PB - Institute of Biochemistry

SP - 251-258

IS - 3

VL - 67

SN - 2310-6905

SN - 2310-6972

ER -

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@article{2021,

doi = {10.18097/pbmc20216703251},

url = {https://doi.org/10.18097%2Fpbmc20216703251},

year = 2021,

publisher = {Institute of Biochemistry},

volume = {67},

number = {3},

pages = {251--258},

author = {A.E. Kniga and I.V. Polyakov and A.V. Nemukhin},

title = {In silico specificity determination of neoantigen-reactive T-lymphocytes}

}

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Kniga, A.E., I.V. Polyakov, and A.V. Nemukhin. “In Silico Specificity Determination of Neoantigen-Reactive T-Lymphocytes.” Biomeditsinskaya Khimiya 67.3 (2021): 251–258. Crossref. Web.