Evidence map›Paper›PMID 28864894›Full record

ArticleDoklady. Biochemistry and biophysics2017

Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer.

A V Golovin, I V Smirnov, A V Stepanova, A O Zalevskiy, A S Zlobin, N A Ponomarenko, A A Belogurov, V D Knorre, E N Hurs, S D Chatziefthimiou and 4 more

Abstract read
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In one paragraph

Article in Doklady. Biochemistry and biophysics, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Structural and Functional Mise en Abyme.Frontiers in molecular biosciences · 2019
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

14 authors.

A V GolovinMoscow State University, Moscow, 119991, Russia.
I V SmirnovShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, 117997, Russia.
A V StepanovaShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, 117997, Russia.
A O ZalevskiyMoscow State University, Moscow, 119991, Russia.
A S ZlobinMoscow State University, Moscow, 119991, Russia.
N A PonomarenkoShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, 117997, Russia.
A A BelogurovShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, 117997, Russia.
V D KnorreShemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, 117997, Russia. vera.knorre@gmail.com.
E N HursEngelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow, 119991, Russia.
S D ChatziefthimiouHamburg Unit, European Molecular Biology Laboratory, Hamburg, Germany.
M WilmannsHamburg Unit, European Molecular Biology Laboratory, Hamburg, Germany.
G M BlackburnKrebs Institute, Department of Molecular Biology and Biotechnology, University of Sheffield, Western Bank, Sheffield, UK.
R M KhomutovEngelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow, 119991, Russia.
A G GabibovMoscow State University, Moscow, 119991, Russia.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

It is proposed to perform quantum mechanical/molecular dynamics calculations of chemical reactions that are planned to be catalyzed by antibodies and then conduct a virtual screening of the library of potential antibody mutants to select an optimal biocatalyst. We tested the effectiveness of this approach by the example of hydrolysis of organophosphorus toxicant paraoxon using kinetic approaches and X-ray analysis of the antibody biocatalyst designed de novo.

Indexed as

BiocatalysisMutationAntibodiesComputational BiologyModels, MolecularProtein ConformationAntibodies

Identifiers

PMID28864894

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.