Energetics of Storage and Diffusion of Water and Cyclo-Octasulfur for a Nonpolar Cavity of RHCC Tetrabrachion by Molecular Dynamics Simulations.

C Harder-Viddal, M McDougall, R M Roshko, J Stetefeld

Abstract read

In one paragraph

Article in Computational and structural biotechnology journal, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it

0cells of the map it votes in

5citing 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

5 citing papers in PubMed.

Entangled hydrophobic and hydrophilic networks in carbon monoxide dehydrogenase.Chemical science · 2026
Article
A Structural Analysis of Proteinaceous Nanotube Cavities and Their Applications in Nanotechnology.Nanomaterials (Basel, Switzerland) · 2022
Review
Boron rich nanotube drug carrier system is suited for boron neutron capture therapy.Scientific reports · 2021
Article
Molecular dynamics simulations of ortho-carborane nano-diamond storage within the nonpolar channel cavities of a right-handed coiled-coil tetrabrachion nanotube.Computational and structural biotechnology journal · 2021
Article
Modified cyclodextrins solubilize elemental sulfur in water and enable biological sulfane sulfur delivery.Chemical science · 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

4 authors.

C Harder-ViddalDepartment of Chemistry and Physics, Canadian Mennonite University, 500 Shaftesbury Blvd, Winnipeg, Manitoba, Canada.

M McDougallDepartment of Chemistry, University of Manitoba, 144 Dysart Rd, Winnipeg, Manitoba, Canada.

R M RoshkoDepartment of Physics and Astronomy, University of Manitoba, 30A Sifton Rd, Winnipeg, Manitoba, Canada.

J StetefeldDepartment of Chemistry, University of Manitoba, 144 Dysart Rd, Winnipeg, Manitoba, Canada.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Tetrabrachion forms the key component of the S-layer of Staphylothermus marinus. Molecular dynamics simulations have been used to study the energetics of occupancy of cavity 3 of the right-handed coiled-coil stalk of tetrabrachion by both water molecules and cyclooctasulfur

Indexed as

Archaea S-layer proteinsBootstrappingCyclooctasulfurDouble-decouplingFree energyHydrationMolecular dynamics simulationsMulti-configurational thermodynamic integration (MCTI)Nonpolar cavitiesRight-handed coiled coilSteered molecular dynamicsUmbrella samplingWeighted histogram analysis method (WHAM)

Identifiers

PMID31198494

DOI10.1016/j.csbj.2019.05.004

PMCPMC6555900

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LicenceCC BY-NC-ND

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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.