Evidence map›Paper›PMID 40576981›Full record

ArticleThe journal of physical chemistry. B2025

The String Method with Swarms of Trajectories: A Tutorial for Free-Energy Calculations Along a Zero-Drift Pathway.

Chenyu Tang, Haochuan Chen, Emad Tajkhorshid, Benoît Roux, Christophe Chipot

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 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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.

Chenyu TangLaboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche no7019, Université de Lorraine, 54506 Vandœuvre-lès-Nancy Cedex, France.ORCID 0000-0002-6914-7348
Haochuan ChenLaboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche no7019, Université de Lorraine, 54506 Vandœuvre-lès-Nancy Cedex, France.ORCID 0000-0001-6447-1096
Emad TajkhorshidTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, United States.ORCID 0000-0001-8434-1010
Benoît RouxDepartment of Biochemistry and Molecular Biology, The University of Chicago, Chicago, Illinois 60637, United States.ORCID 0000-0002-5254-2712
Christophe ChipotLaboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche no7019, Université de Lorraine, 54506 Vandœuvre-lès-Nancy Cedex, France.ORCID 0000-0002-9122-1698

Funding

Resource for Macromolecular Modeling and VisualizationR24GM145965 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI Emad Tajkhorshid · 2022 to 2026
$6.2M
Molecular dynamics studies of K+ and Na+ channels and biomembranes based on a polarizable force fieldR35GM152124 · NIGMS · UNIVERSITY OF CHICAGO · PI BENOIT ROUX · 2024 to 2026
$2.2M
NIGMS NIH HHS R24 GM145965NIGMS NIH HHS R35 GM152124
6 · The paper itself

Abstract

The objective of this tutorial is to provide a comprehensive overview of the string method and its usage to determine a detailed transition pathway and the free-energy difference between two conformational states of a system. The computational protocol is illustrated in detail by setting out to calculate the free-energy difference between the C

Identifiers

PMID40576981
PMCPMC12751303

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.