---
_id: '5995'
abstract:
- lang: eng
text: "Motivation\r\nComputational prediction of the effect of mutations on protein
stability is used by researchers in many fields. The utility of the prediction
methods is affected by their accuracy and bias. Bias, a systematic shift of the
predicted change of stability, has been noted as an issue for several methods,
but has not been investigated systematically. Presence of the bias may lead to
misleading results especially when exploring the effects of combination of different
mutations.\r\n\r\nResults\r\nHere we use a protocol to measure the bias as a function
of the number of introduced mutations. It is based on a self-consistency test
of the reciprocity the effect of a mutation. An advantage of the used approach
is that it relies solely on crystal structures without experimentally measured
stability values. We applied the protocol to four popular algorithms predicting
change of protein stability upon mutation, FoldX, Eris, Rosetta and I-Mutant,
and found an inherent bias. For one program, FoldX, we manage to substantially
reduce the bias using additional relaxation by Modeller. Authors using algorithms
for predicting effects of mutations should be aware of the bias described here."
article_processing_charge: No
author:
- first_name: Dinara R
full_name: Usmanova, Dinara R
last_name: Usmanova
- first_name: Natalya S
full_name: Bogatyreva, Natalya S
last_name: Bogatyreva
- first_name: Joan
full_name: Ariño Bernad, Joan
last_name: Ariño Bernad
- first_name: Aleksandra A
full_name: Eremina, Aleksandra A
last_name: Eremina
- first_name: Anastasiya A
full_name: Gorshkova, Anastasiya A
last_name: Gorshkova
- first_name: German M
full_name: Kanevskiy, German M
last_name: Kanevskiy
- first_name: Lyubov R
full_name: Lonishin, Lyubov R
last_name: Lonishin
- first_name: Alexander V
full_name: Meister, Alexander V
last_name: Meister
- first_name: Alisa G
full_name: Yakupova, Alisa G
last_name: Yakupova
- first_name: Fyodor
full_name: Kondrashov, Fyodor
id: 44FDEF62-F248-11E8-B48F-1D18A9856A87
last_name: Kondrashov
orcid: 0000-0001-8243-4694
- first_name: Dmitry
full_name: Ivankov, Dmitry
id: 49FF1036-F248-11E8-B48F-1D18A9856A87
last_name: Ivankov
citation:
ama: Usmanova DR, Bogatyreva NS, Ariño Bernad J, et al. Self-consistency test reveals
systematic bias in programs for prediction change of stability upon mutation.
Bioinformatics. 2018;34(21):3653-3658. doi:10.1093/bioinformatics/bty340
apa: Usmanova, D. R., Bogatyreva, N. S., Ariño Bernad, J., Eremina, A. A., Gorshkova,
A. A., Kanevskiy, G. M., … Ivankov, D. (2018). Self-consistency test reveals systematic
bias in programs for prediction change of stability upon mutation. Bioinformatics.
Oxford University Press . https://doi.org/10.1093/bioinformatics/bty340
chicago: Usmanova, Dinara R, Natalya S Bogatyreva, Joan Ariño Bernad, Aleksandra
A Eremina, Anastasiya A Gorshkova, German M Kanevskiy, Lyubov R Lonishin, et al.
“Self-Consistency Test Reveals Systematic Bias in Programs for Prediction Change
of Stability upon Mutation.” Bioinformatics. Oxford University Press ,
2018. https://doi.org/10.1093/bioinformatics/bty340.
ieee: D. R. Usmanova et al., “Self-consistency test reveals systematic bias
in programs for prediction change of stability upon mutation,” Bioinformatics,
vol. 34, no. 21. Oxford University Press , pp. 3653–3658, 2018.
ista: Usmanova DR, Bogatyreva NS, Ariño Bernad J, Eremina AA, Gorshkova AA, Kanevskiy
GM, Lonishin LR, Meister AV, Yakupova AG, Kondrashov F, Ivankov D. 2018. Self-consistency
test reveals systematic bias in programs for prediction change of stability upon
mutation. Bioinformatics. 34(21), 3653–3658.
mla: Usmanova, Dinara R., et al. “Self-Consistency Test Reveals Systematic Bias
in Programs for Prediction Change of Stability upon Mutation.” Bioinformatics,
vol. 34, no. 21, Oxford University Press , 2018, pp. 3653–58, doi:10.1093/bioinformatics/bty340.
short: D.R. Usmanova, N.S. Bogatyreva, J. Ariño Bernad, A.A. Eremina, A.A. Gorshkova,
G.M. Kanevskiy, L.R. Lonishin, A.V. Meister, A.G. Yakupova, F. Kondrashov, D.
Ivankov, Bioinformatics 34 (2018) 3653–3658.
date_created: 2019-02-14T12:48:00Z
date_published: 2018-11-01T00:00:00Z
date_updated: 2023-09-19T14:31:13Z
day: '01'
ddc:
- '570'
department:
- _id: FyKo
doi: 10.1093/bioinformatics/bty340
ec_funded: 1
external_id:
isi:
- '000450038900008'
pmid:
- '29722803'
file:
- access_level: open_access
checksum: 7e0495153f44211479674601d7f6ee03
content_type: application/pdf
creator: kschuh
date_created: 2019-02-14T13:00:55Z
date_updated: 2020-07-14T12:47:15Z
file_id: '5997'
file_name: 2018_Oxford_Usmanova.pdf
file_size: 291969
relation: main_file
file_date_updated: 2020-07-14T12:47:15Z
has_accepted_license: '1'
intvolume: ' 34'
isi: 1
issue: '21'
language:
- iso: eng
month: '11'
oa: 1
oa_version: Published Version
page: 3653-3658
pmid: 1
project:
- _id: 26120F5C-B435-11E9-9278-68D0E5697425
call_identifier: FP7
grant_number: '335980'
name: Systematic investigation of epistasis in molecular evolution
publication: Bioinformatics
publication_identifier:
issn:
- 1367-4803
- 1460-2059
publication_status: published
publisher: 'Oxford University Press '
quality_controlled: '1'
scopus_import: '1'
status: public
title: Self-consistency test reveals systematic bias in programs for prediction change
of stability upon mutation
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/4.0/legalcode
name: Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
short: CC BY-NC (4.0)
type: journal_article
user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1
volume: 34
year: '2018'
...