Evidence map›Paper›PMID 42523328›Full record

ArticlebioRxiv : the preprint server for biology2026

CHARMM-GUI

Lingyang Kong, Donghyuk Suh, Wonpil Im

Abstract readPreprint
PubMed Full text at PMC Publisher
In one paragraph

Article in bioRxiv : the preprint server for biology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

3 authors.

Lingyang KongDepartments of Biological Sciences, Lehigh University, Bethlehem, PA 18015, USA.
Donghyuk SuhDepartments of Biological Sciences, Lehigh University, Bethlehem, PA 18015, USA.ORCID 0000-0002-7478-4579
Wonpil ImDepartments of Biological Sciences, Lehigh University, Bethlehem, PA 18015, USA.ORCID 0000-0001-5642-6041

Funding

Development of Computational Tools and Their Applications to Various Biological SystemsR35GM153458 · NIGMS · LEHIGH UNIVERSITY · PI Wonpil Im · 2024 to 2026
$1.2M
NIGMS NIH HHS R35 GM153458
6 · The paper itself

Abstract

Covalent inhibitor research is an emerging topic in drug discovery due to its superior performance in specificity and inhibition effects. While molecular docking is a popular strategy in prediction and assessment of ligand conformations or poses in receptor proteins, covalent ligand docking requires nontrivial preparation efforts, as the ligand structure changes during the covalent complex formation. In order to facilitate molecular docking for covalent ligands, we have developed CHARMM-GUI

Indexed as

Covalent ligandsDrug DiscoveryMolecular DockingStructure-based Virtual Screening

Identifiers

PMID42523328
PMCPMC13405148

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.