Evidence map›Paper›PMID 41889389›Full record

ReviewFrontiers in bioinformatics2026

Repurposing AI for protein interactions and dynamics: opportunities, limitations, and lessons.

E Sila Ozdemir, Hyunbum Jang, Ruth Nussinov, Attila Gursoy, Ozlem Keskin

Abstract readReview
In one paragraph

Review in Frontiers in bioinformatics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
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.

E Sila OzdemirIndependent Researcher, Seattle, WA, United States.
Hyunbum JangComputational Structural Biology Section, Frederick National Laboratory for Cancer Research in the Cancer Innovation Laboratory, National Cancer Institute, Frederick, MD, United States.
Ruth NussinovComputational Structural Biology Section, Frederick National Laboratory for Cancer Research in the Cancer Innovation Laboratory, National Cancer Institute, Frederick, MD, United States.
Attila GursoyDepartment of Computer Engineering, Koc University, Istanbul, Türkiye.
Ozlem KeskinDepartment of Chemical and Biological Engineering, Koc University, Istanbul, Türkiye.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Understanding protein interactions and dynamics of biological systems is central in drug discovery. Advances in artificial intelligence (AI) have expanded the scope of predictive learning for complex biological systems. Repurposing current gold-standard AI algorithms for structural and biological applications illustrates how flexible and powerful these approaches can be. In this mini-review, we examine how AI models are repurposed across domains and analyze how inductive biases, learning objectives, and representation choices inherited from their original applications shape performance in protein interaction and dynamics tasks. We discuss where AI approaches succeed, where they systematically fail, and how their behavior differs from physics-based modeling. We further highlight unresolved biological challenges, data and benchmarking limitations, and emerging opportunities for hybrid AI-physics workflows that balance efficiency with physical realism. By framing recent developments through a cross-domain adaptation framework, this review aims to provide practical guidance for selecting, evaluating, and integrating AI models in protein interaction and dynamics studies, and to support more reliable and biologically meaningful applications of AI in computational protein science.

Indexed as

artificial intelligencecomputational approachdrug discoveryprotein dynamicsprotein interactions

Identifiers

PMID41889389
PMCPMC13013400

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.