Evidence map›Paper›PMID 39681514›Full record

ArticleJournal of chemical information and modeling2025

ModBind, a Rapid Simulation-Based Predictor of Ligand Binding and Off-Rates.

William Sinko, Blake Mertz, Takafumi Shimizu, Taisuke Takahashi, Yoh Terada, S Roy Kimura

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. ModBindProceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  2. Review
  3. 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

6 authors.

William SinkoAlivexis Inc., 1 Broadway, 14th Floor, Cambridge, Massachusetts 02142, United States.ORCID 0009-0002-9358-9290
Blake MertzAlivexis Inc., 1 Broadway, 14th Floor, Cambridge, Massachusetts 02142, United States.ORCID 0000-0002-7677-0496
Takafumi ShimizuAlivexis Inc., Daiichi Hibiya Building 7F, Shimbashi 1-18-21, Minato-ku, Tokyo 105-0004, Japan.
Taisuke TakahashiAlivexis Inc., Daiichi Hibiya Building 7F, Shimbashi 1-18-21, Minato-ku, Tokyo 105-0004, Japan.
Yoh TeradaAlivexis Inc., Daiichi Hibiya Building 7F, Shimbashi 1-18-21, Minato-ku, Tokyo 105-0004, Japan.
S Roy KimuraAlivexis Inc., Daiichi Hibiya Building 7F, Shimbashi 1-18-21, Minato-ku, Tokyo 105-0004, Japan.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In rational drug discovery, both free energy of binding and the binding half-life (

Indexed as

Drug DiscoveryMolecular Dynamics SimulationKineticsLigandsProtein BindingThermodynamicsLigands

Identifiers

PMID39681514
PMCPMC11733936

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.