Evidence map›Paper›PMID 39791554›Full record

ArticleThe journal of physical chemistry. B2025

ModeHunter: A Package for the Reductionist Analysis, Animation, and Application of Elastic Biomolecular Motion.

Willy Wriggers, Maytha Alshammari, Joseph N Stember, Sebastian Stolzenberg, Essam Metwally, Manfred Auer, Jing He, Harel Weinstein

Abstract read
In one paragraph

Article in The journal of physical chemistry. B, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Decoys Reveal Multiple Basins of Attraction for Cryo-Electron-Microscopy Flexible Fitting.Computational structural bioinformatics : international workshop, CSBW 2024, Boston, MA, USA, November 16, 2024, proceedings. Computational Structural Bioinformatics Workshop (2024 : Boston, Mass.) · 2025
    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

8 authors.

Willy WriggersDepartment of Mechanical and Aerospace Engineering, Old Dominion University, Norfolk, Virginia 23529, United States.ORCID 0000-0001-5326-3152
Maytha AlshammariDepartment of Computer Science, Old Dominion University, Norfolk, Virginia 23529, United States.
Joseph N StemberDepartment of Radiology, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.ORCID 0000-0003-3169-9590
Sebastian StolzenbergDepartment of Physiology and Biophysics, Weill Cornell Medical College, New York, New York 10065, United States.
Essam MetwallyModeling and Informatics, MRL, Merck & Co., Inc., 213 E. Grand Avenue, South San Francisco, California 94080, United States.
Manfred AuerDepartment of Biomedical Engineering, Southeast University, 2 Sipailou, Nanjing, Jiangsu 210096, China.
Jing HeDepartment of Computer Science, Old Dominion University, Norfolk, Virginia 23529, United States.ORCID 0000-0002-7249-4746
Harel WeinsteinDepartment of Physiology and Biophysics, Weill Cornell Medical College, New York, New York 10065, United States.ORCID 0000-0003-3473-9818

Funding

Multi-Resolution Docking Methods for Electron MicroscopyR01GM062968 · NIGMS · UNIVERSITY OF TEXAS HLTH SCI CTR HOUSTON · PI WRIGGERS, WILLY R · 2001 to 2023
$4.8M
Multi-Resolution Docking Methods for Electron MicroscopyR35GM153431 · NIGMS · OLD DOMINION UNIVERSITY · PI WILLY R WRIGGERS · 2024 to 2026
$1.2M
NIGMS NIH HHS R01 GM062968NIGMS NIH HHS R35 GM153431
6 · The paper itself

Abstract

ModeHunter is a modular Python software package for the simulation of 3D biophysical motion across spatial resolution scales using modal analysis of elastic networks. It has been curated from our in-house Python scripts over the last 15 years, with a focus on detecting similarities of elastic motion between atomic structures, coarse-grained graphs, and volumetric data obtained from biophysical or biomedical imaging origins, such as electron microscopy or tomography. With ModeHunter, normal modes of biophysical motion can be analyzed with various static visualization techniques or brought to life by dynamics animation in terms of single or multimode trajectories or decoy ensembles. Atomic structures can also be refined against volumetric densities with flexible fitting strategies. The software consists of multiple stand-alone programs for the preparation, analysis, visualization, animation, and refinement of normal modes and 3D data sets. At its core, two spatially reductionist elastic motion engines are currently supported: elastic network models (typically for a Cα level of detail and rectangular meshes) and bend-twist stretch (for trigonal or tetrahedral meshes or trees resulting from spatial clustering). The programs have recently been modernized to Python 3, requiring only the common numpy and scipy external libraries for numerical support. The main advantage of our modular design is that the tools can be combined by the end users for specific modeling applications, either standalone or with complementary tools from our C/C++-based Situs modeling package. The modular design and consistent look and feel facilitate the maintenance of individual programs and the development of novel application workflows. Here, we provide the first complete overview of the ModeHunter package as it exists today, with an emphasis on functionality and workflows supported by version 1.4.

Indexed as

SoftwareElasticityMolecular Dynamics SimulationMotion

Identifiers

PMID39791554
PMCPMC12285575

What OpenQuestion holds

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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.