Evidence map›Paper›PMID 40424866›Full record

ReviewCurrent opinion in structural biology2025

Molecular dynamics simulations of biological membranes and membrane-associated phenomena across scales.

Noah Trebesch, Hale S Hasdemir, Tianle Chen, Po-Chao Wen, Emad Tajkhorshid

Abstract readReview
In one paragraph

Review in Current opinion in structural biology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing 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

8 citing papers in PubMed.

  1. Review
  2. Article
  3. Review
  4. Article
  5. βCurrent opinion in immunology · 2026
    Review
  6. Compartment-guided assembly of large-scale molecular models with Bentopy.Protein science : a publication of the Protein Society · 2026
    Article
  7. Review
  8. 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.

Noah TrebeschTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, IL 61801, USA.
Hale S HasdemirTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, IL 61801, USA.
Tianle ChenTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, IL 61801, USA.
Po-Chao WenTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, IL 61801, USA.
Emad TajkhorshidTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, IL 61801, USA. Electronic address: emad@illinois.edu.

Funding

WHOLE CELL SIMULATIONP41GM104601 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI SCHULTEN, KLAUS · 2012 to 2021
$19.0M
Resource for Macromolecular Modeling and VisualizationR24GM145965 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI Emad Tajkhorshid · 2022 to 2026
$6.2M
Dynamics and mechanism of sodium-dependent carboxylate transportersR01DK135088 · NIDDK · NEW YORK UNIVERSITY SCHOOL OF MEDICINE · PI Ruben L Gonzalez, Emad Tajkhorshid · 2023 to 2026
$2.6M
Architecture, dynamics and regulation of erythrocyte ankyrin-1 complexesR01HL168178 · NHLBI · COLUMBIA UNIVERSITY HEALTH SCIENCES · PI Oliver Biggs Clarke · 2023 to 2026
$2.4M
NHLBI NIH HHS R01 HL168178NIDDK NIH HHS R01 DK135088NIGMS NIH HHS P41 GM104601NIGMS NIH HHS R24 GM145965
6 · The paper itself

Abstract

Membranes are fundamental components of cells that are involved in a wide variety of cellular functions. They are inherently complex, being composed of hugely diverse collections of lipids and proteins, and their various functions arise directly from the intricate interplay between their components. To investigate the interactions between these components in detail, molecular dynamics (MD) simulations have proven to be an invaluable tool. In this mini-review, we highlight several recent studies that illustrate the current state of the art in using MD to study membrane systems. In particular, we first examine how MD is being used to characterize membrane binding of peripheral membrane proteins, we next describe how interactions between lipids and integral membrane proteins are being probed with MD, and we conclude by discussing new tools that have recently been developed to address the significant challenge of building simulateable models of large-scale membranes with complex curvature.

Indexed as

Cell MembraneMolecular Dynamics SimulationHumansMembrane LipidsMembrane ProteinsMembrane LipidsMembrane Proteins

Identifiers

PMID40424866
PMCPMC12767265

What Socratic holds

Textmetadata
LicenceTDM
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 Socratic graph.