Computational NMR Study of

Valentin A Semenov, Leonid B Krivdin, Gary E Martin

Abstract read

In one paragraph

Article in International journal of molecular sciences, 2025. 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.

Virtual Screening of Marine Natural Products Targeting the F Protein for Anti-RSV Drug Discovery.International journal of molecular sciences · 2026
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

3 authors.

Valentin A SemenovA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia.ORCID 0000-0002-8076-2245

Leonid B KrivdinA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia.ORCID 0000-0003-2941-1084

Gary E MartinDepartment of Chemistry and Biochemistry, Seton Hall University, 400 South Orange Ave., South Orange, NJ 07079, USA.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

It is demonstrated that by using modern computational methods, it is possible to identify potential structural misassignments for even molecules as complex as cryptospirolepine. While methods that rely on anisotropic nuclear magnetic resonance (NMR) methods can also be used to offer a powerful orthogonal means of structure elucidation and verification, the present computational study should be feasible in most chemistry departments with access to sophisticated computational facilities. From the overall correlations calculated against experimental

Indexed as

AlkaloidsIndole AlkaloidsMagnetic Resonance SpectroscopyMolecular StructureAlkaloidsIndole Alkaloids13C NMRCryptolepis alkaloidscryptospirolepineDFT calculations

Identifiers

PMID40076736

DOI10.3390/ijms26052112

PMCPMC11900956

What OpenQuestion holds

Textmetadata

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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.