Evidence map›Paper›PMID 39225694›Full record

ArticleJournal of chemical information and modeling2024

Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach.

Hsu-Chun Tsai, James Xu, Zhenyu Guo, Yinhui Yi, Chuan Tian, Xinyu Que, Timothy Giese, Tai-Sung Lee, Darrin M York, Abir Ganguly and 1 more

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Article
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  6. Recent Developments in Amber Biomolecular Simulations.Journal of chemical information and modeling · 2025
    Article
  7. 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

11 authors.

Hsu-Chun TsaiTandemAI, New York, New York 10036, United States.ORCID 0000-0001-7027-5649
James XuTandemAI, New York, New York 10036, United States.ORCID 0009-0005-7417-7137
Zhenyu GuoTandemAI, New York, New York 10036, United States.ORCID 0009-0001-7250-4895
Yinhui YiTandemAI, New York, New York 10036, United States.ORCID 0009-0005-3854-4833
Chuan TianTandemAI, New York, New York 10036, United States.ORCID 0000-0002-3518-7237
Xinyu QueTandemAI, New York, New York 10036, United States.ORCID 0000-0002-4057-3255
Timothy GieseLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States.ORCID 0000-0002-0653-9168
Tai-Sung LeeLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States.ORCID 0000-0003-2110-2279
Darrin M YorkLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States.ORCID 0000-0002-9193-7055
Abir GangulyTandemAI, New York, New York 10036, United States.ORCID 0000-0002-0630-1109
Albert PanTandemAI, New York, New York 10036, United States.ORCID 0000-0001-5050-5603

Funding

Next-generation integrated quantum force fields for biomedical applicationsR01GM107485 · NIGMS · RUTGERS, THE STATE UNIV OF N.J. · PI Darrin M York · 2015 to 2026
$3.8M
A next-generation extendable simulation environment for affordable, accurate, and efficient free energy simulationsR01GM149874 · NIGMS · RUTGERS, THE STATE UNIV OF N.J. · PI TAI-SUNG LEE · 2023 to 2026
$1.3M
NIGMS NIH HHS R01 GM107485NIGMS NIH HHS R01 GM149874
6 · The paper itself

Abstract

Accurate

Indexed as

Protein BindingProteinsThermodynamicsDrug DiscoveryLigandsMolecular Dynamics SimulationSmall Molecule LibrariesLigandsProteinsSmall Molecule Libraries

Identifiers

PMID39225694
PMCPMC11542680

What OpenQuestion 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 OpenQuestion graph.