Evidence map›Paper›PMID 40285712›Full record

ArticleJournal of chemical theory and computation2025

High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation.

Wenbo Yu, Shashi Kumar, Mingtian Zhao, David J Weber, Alexander D MacKerell

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Review
  2. Article
  3. Review
  4. Article
  5. 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.

Wenbo YuComputer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.ORCID 0000-0001-6962-5314
Shashi KumarComputer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.ORCID 0000-0002-3703-4488
Mingtian ZhaoComputer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.
David J WeberInstitute for Bioscience and Biotechnology Research (IBBR), Rockville, Maryland 20850, United States.ORCID 0000-0002-8824-1110
Alexander D MacKerellComputer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.ORCID 0000-0001-8287-6804

Funding

Macromolecular Conformational HeterogeneityR35GM131710 · NIGMS · UNIVERSITY OF MARYLAND BALTIMORE · PI ALEXANDER D MACKERELL · 2019 to 2026
$6.2M
Signal Propagation in Protein Allostery: Mechanism and EvolutionR01GM129327 · NIGMS · UNIV OF MARYLAND, COLLEGE PARK · PI WEBER, DAVID JOSEPH · 2019 to 2022
$1.3M
NIGMS NIH HHS R01 GM129327NIGMS NIH HHS R35 GM131710
6 · The paper itself

Abstract

The dissociation or off rate,

Indexed as

ProteinsKineticsLigandsMachine LearningMolecular Dynamics SimulationThermodynamicsLigandsProteins

Identifiers

PMID40285712
PMCPMC12077591

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.