Evidence map›Paper›PMID 36587424›Full record

ReviewCurrent opinion in structural biology2023

Mutually beneficial confluence of structure-based modeling of protein dynamics and machine learning methods.

Anupam Banerjee, Satyaki Saha, Nathan C Tvedt, Lee-Wei Yang, Ivet Bahar

Abstract readReview
In one paragraph

Review in Current opinion in structural biology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.

0numbers the graph read from it
0cells of the map it votes in
12citing 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

12 citing papers in PubMed.

  1. Article
  2. Article
  3. Accurate identification and mechanistic evaluation of pathogenic missense variants withProceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  4. Article
  5. Review
  6. Article
  7. Article
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  9. Article
  10. Article
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  12. 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

5 authors.

Anupam BanerjeeComputational and Systems Biology, University of Pittsburgh School of Medicine, Pittsburgh PA 15261, USA.
Satyaki SahaComputational and Systems Biology, University of Pittsburgh School of Medicine, Pittsburgh PA 15261, USA.
Nathan C TvedtComputational and Systems Biology, University of Pittsburgh School of Medicine, Pittsburgh PA 15261, USA; Computational and Applied Mathematics and Statistics, The College of William and Mary, Williamsburg, VA 23185, USA.
Lee-Wei YangInstitute of Bioinformatics and Structural Biology, and PhD Program in Biomedical Artificial Intelligence, National Tsing Hua University, Hsinchu 300044, Taiwan; Physics Division, National Center for Theoretical Sciences, Taipei 106319, Taiwan.
Ivet BaharComputational and Systems Biology, University of Pittsburgh School of Medicine, Pittsburgh PA 15261, USA. Electronic address: bahar@pitt.edu.

Funding

Toward a Deeper Understanding of Allostery and Allotargeting by Computational ApproachesR01GM139297 · NIGMS · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI Ivet Bahar · 2021 to 2026
$2.8M
NIGMS NIH HHS R01 GM139297
6 · The paper itself

Abstract

Proteins sample an ensemble of conformers under physiological conditions, having access to a spectrum of modes of motions, also called intrinsic dynamics. These motions ensure the adaptation to various interactions in the cell, and largely assist in, if not determine, viable mechanisms of biological function. In recent years, machine learning frameworks have proven uniquely useful in structural biology, and recent studies further provide evidence to the utility and/or necessity of considering intrinsic dynamics for increasing their predictive ability. Efficient quantification of dynamics-based attributes by recently developed physics-based theories and models such as elastic network models provides a unique opportunity to generate data on dynamics for training ML models towards inferring mechanisms of protein function, assessing pathogenicity, or estimating binding affinities.

Indexed as

Machine LearningProteinsProteins

Identifiers

PMID36587424
PMCPMC10038760

What OpenQuestion holds

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LicenceCC BY-NC-ND
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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.