Evidence map›Paper›PMID 32239740›Full record

ArticleAngewandte Chemie (International ed. in English)2020

Predicting

Johannes C B Dietschreit, Annika Wagner, T Anh Le, Philipp Klein, Hermann Schindelin, Till Opatz, Bernd Engels, Ute A Hellmich, Christian Ochsenfeld

Open access · hybridAbstract read
In one paragraph

Article in Angewandte Chemie (International ed. in English), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
1.6field-weighted citation impact, top 16% of its field
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

7 citing papers in PubMed, 20 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Systematic QM/MM Study for PredictingJournal of chemical theory and computation · 2024
    Article
  6. Article
  7. PredictingAngewandte Chemie (International ed. in English) · 2020
    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

9 authors at 4 institutions in 1 country.

Johannes C B DietschreitTheoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 7, 81377, Munich, Germany.ORCID 0000-0002-5840-0002
Annika WagnerDept. Chemistry, Section Biochemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
T Anh LeInstitute for Physical and Theoretical Chemistry, University of Würzburg, Emil-Fischer-Straße 42, 97074, Würzburg, Germany.
Philipp KleinDept. Chemistry, Section Organic Chemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
Hermann SchindelinInstitute of Structural Biology, Rudolf Virchow Center for Experimental Biomedicine, University of Würzburg, 97080, Würzburg, Germany.ORCID 0000-0002-2067-3187
Till OpatzDept. Chemistry, Section Organic Chemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.ORCID 0000-0002-3266-4050
Bernd EngelsInstitute for Physical and Theoretical Chemistry, University of Würzburg, Emil-Fischer-Straße 42, 97074, Würzburg, Germany.ORCID 0000-0003-3057-389X
Ute A HellmichDept. Chemistry, Section Biochemistry, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.ORCID 0000-0001-7162-285X
Christian OchsenfeldTheoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 7, 81377, Munich, Germany.ORCID 0000-0002-4189-6558
University of Würzburg · DEGoethe University Frankfurt · DEJohannes Gutenberg University Mainz · DELMU Klinikum · DE

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The absence of fluorine from most biomolecules renders it an excellent probe for NMR spectroscopy to monitor inhibitor-protein interactions. However, predicting the binding mode of a fluorinated ligand from a chemical shift (or vice versa) has been challenging due to the high electron density of the fluorine atom. Nonetheless, reliable

Indexed as

Enzyme InhibitorsFluorineMutationNuclear Magnetic Resonance, BiomolecularProtein BindingProtozoan ProteinsPyrimidinonesThiophenesThioredoxinsTrypanocidal AgentsTrypanosoma brucei bruceiEnzyme InhibitorsFluorineProtozoan ProteinsPyrimidinonesThiophenesThioredoxinsTrypanocidal AgentstryparedoxinAfrican sleeping sicknesscovalent inhibitorsNMR spectroscopyquantum chemistrystructural biology

Identifiers

PMID32239740
PMCPMC7496126
OpenAlexW3015173440

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

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.