Evidence map›Paper›PMID 31710727›Full record

ArticleProtein science : a publication of the Protein Society2020

Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS.

Joseph Laureanti, Juan Brandi, Elvis Offor, David Engel, Robert Rallo, Bojana Ginovska, Xavier Martinez, Marc Baaden, Nathan A Baker

Abstract read
In one paragraph

Article in Protein science : a publication of the Protein Society, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.

0numbers the graph read from it
0cells of the map it votes in
14citing 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

14 citing papers in PubMed.

  1. Review
  2. Review
  3. The virus lesson: Teaching viral structure and quasi-symmetry in mixed reality.Protein science : a publication of the Protein Society · 2026
    Article
  4. Review
  5. Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. MgPharmaceutics · 2022
    Article
  11. Article
  12. Article
  13. Discovery of a Natural Product That Binds to theMolecules (Basel, Switzerland) · 2020
    Article
  14. Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS.Protein science : a publication of the Protein Society · 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.

Joseph LaureantiPhysical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington.
Juan BrandiPhysical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington.
Elvis OfforPhysical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington.
David EngelPhysical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington.
Robert RalloPhysical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington.
Bojana GinovskaPhysical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington.
Xavier MartinezLaboratoire de Biochimie Théorique, CNRS, Université de Paris, Paris, France.
Marc BaadenLaboratoire de Biochimie Théorique, CNRS, Université de Paris, Paris, France.
Nathan A BakerAdvanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington.ORCID 0000-0002-5892-6506

Funding

APBS: NANOSCALE BIOMOLECULAR ELECTROSTATICS SOFTWARER01GM069702 · NIGMS · WASHINGTON UNIVERSITY · PI BAKER, NATHAN A. · 2004 to 2021
$6.2M
NIGMS NIH HHS GM069702NIGMS NIH HHS R01 GM069702
6 · The paper itself

Abstract

Virtual reality is a powerful tool with the ability to immerse a user within a completely external environment. This immersion is particularly useful when visualizing and analyzing interactions between small organic molecules, molecular inorganic complexes, and biomolecular systems such as redox proteins and enzymes. A common tool used in the biomedical community to analyze such interactions is the Adaptive Poisson-Boltzmann Solver (APBS) software, which was developed to solve the equations of continuum electrostatics for large biomolecular assemblages. Numerous applications exist for using APBS in the biomedical community including analysis of protein ligand interactions and APBS has enjoyed widespread adoption throughout the biomedical community. Currently, typical use of the full APBS toolset is completed via the command line followed by visualization using a variety of two-dimensional external molecular visualization software. This process has inherent limitations: visualization of three-dimensional objects using a two-dimensional interface masks important information within the depth component. Herein, we have developed a single application, UnityMol-APBS, that provides a dual experience where users can utilize the full range of the APBS toolset, without the use of a command line interface, by use of a simple graphical user interface (GUI) for either a standard desktop or immersive virtual reality experience.

Indexed as

AnimalsComputational BiologyImaging, Three-DimensionalProtein ConformationProteinsStatic ElectricityUser-Computer InterfaceVirtual RealityWeb BrowserProteinselectrostaticsmolecular visualizationsolvationvirtual reality

Identifiers

PMID31710727
PMCPMC6933841

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.