Evidence map›Paper›PMID 39537830›Full record

ArticleJournal of computer-aided molecular design2024

Understanding the relationship between preferential interactions of peptides in water-acetonitrile mixtures with protein-solvent contact surface area.

Monika Phougat, Narinder Singh Sahni, Devapriya Choudhury

Abstract read
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In one paragraph

Article in Journal of computer-aided molecular design, 2024. 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. 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.

Monika PhougatSchool of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi, 110067, India. monika26_sit@jnu.ac.in.ORCID 0000-0002-7658-5629
Narinder Singh SahniSchool of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi, 110067, India.ORCID 0009-0004-8222-3554
Devapriya ChoudhurySchool of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi, 110067, India.ORCID 0000-0001-6779-9425

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The influence of polar, water-miscible organic solvents (POS) on protein structure, stability, and functional activity is a subject of significant interest and complexity. This study examines the effects of acetonitrile (ACN), a semipolar, aprotic solvent, on the solvation properties of blocked Ace-Gly-X-Gly-Nme tripeptides (where Ace and Nme stands for acetyl and N-methyl amide groups respectively and X is any amino acid) through extensive molecular dynamics simulations. Individual simulations were conducted for each peptide, encompassing five different ACN concentrations within the range of χ

Indexed as

AcetonitrilesMolecular Dynamics SimulationPeptidesSolventsWaterHydrophobic and Hydrophilic InteractionsacetonitrileAcetonitrilesPeptidesSolventsWaterContact surface areaKirkwood-Buff integralsMolecular Dynamics simulationN-way Partial Least SquaresPreferential hydrationPreferential solvationVoronoi tessellation

Identifiers

PMID39537830

What OpenQuestion holds

Textmetadata
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.