Biomeditsinskaya Khimiya, volume 67, issue 3, pages 251-258
In silico specificity determination of neoantigen-reactive T-lymphocytes
Publication type: Journal Article
Publication date: 2021-06-17
Journal:
Biomeditsinskaya Khimiya
Quartile SCImago
Q4
Quartile WOS
—
Impact factor: —
ISSN: 23106905
General Biochemistry, Genetics and Molecular Biology
General Medicine
Abstract
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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Биохимия
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1 publication, 50%
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Biochemistry (Moscow)
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Biochemistry (Moscow)
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Citations by publishers
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1
2
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Pleiades Publishing
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Pleiades Publishing
2 publications, 100%
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1
2
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Kniga A. E., Polyakov I. V., Nemukhin A. V. In silico specificity determination of neoantigen-reactive T-lymphocytes // Biomeditsinskaya Khimiya. 2021. Vol. 67. No. 3. pp. 251-258.
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Kniga A. E., Polyakov I. V., Nemukhin A. V. In silico specificity determination of neoantigen-reactive T-lymphocytes // Biomeditsinskaya Khimiya. 2021. Vol. 67. No. 3. pp. 251-258.
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TY - JOUR
DO - 10.18097/PBMC20216703251
UR - https://doi.org/10.18097%2FPBMC20216703251
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
DA - 2021/06/17 00:00:00
PB - V. N. Orekhovich Research Institute of Biomedical Chemistry
SP - 251-258
IS - 3
VL - 67
SN - 2310-6905
ER -
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@article{2021_Kniga,
author = {A E Kniga and I. V. Polyakov and A. V. Nemukhin},
title = {In silico specificity determination of neoantigen-reactive T-lymphocytes},
journal = {Biomeditsinskaya Khimiya},
year = {2021},
volume = {67},
publisher = {V. N. Orekhovich Research Institute of Biomedical Chemistry},
month = {jun},
url = {https://doi.org/10.18097%2FPBMC20216703251},
number = {3},
pages = {251--258},
doi = {10.18097/PBMC20216703251}
}
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Kniga, A. E., et al. “In silico specificity determination of neoantigen-reactive T-lymphocytes.” Biomeditsinskaya Khimiya, vol. 67, no. 3, Jun. 2021, pp. 251-258. https://doi.org/10.18097%2FPBMC20216703251.
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