Evidence map›Paper›PMID 29846643›Full record

ArticleNucleic acids research2018

COACH-D: improved protein-ligand binding sites prediction with refined ligand-binding poses through molecular docking.

Qi Wu, Zhenling Peng, Yang Zhang, Jianyi Yang

Open access · goldAbstract read
In one paragraph

Article in Nucleic acids research, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 134 papers, 2 of them syntheses that pooled it.

0numbers the graph read from it
0cells of the map it votes in
134citing papers in PubMed, 2 pooled it
18.2field-weighted citation impact, top 1% of its field
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

134 citing papers in PubMed, 2 syntheses or guidelines pooled it, 290 citations in OpenAlex.

  1. Pooled it
  2. Pooled it
  3. Article
  4. Article
  5. Protective Effects of the Ethanolic Leaf Extract ofMolecules (Basel, Switzerland) · 2026
    Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Artificial Intelligence Powers Protein Functional Annotation.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Review
  15. Article
  16. Article
  17. Accurate Identification of Protein Binding Sites for All Drug Modalities Using ALLSites.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  18. Article
  19. Article
  20. Review

74 more citing papers are in PubMed but not listed here.

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

4 authors at 3 institutions in 2 countries.

Qi WuSchool of Mathematical Sciences, Nankai University, Tianjin 300071, China.
Zhenling PengCenter for Applied Mathematics, Tianjin University, Tianjin 300072, China.
Yang ZhangDepartment of Computational Medicine and Bioinformatics, University of Michigan, 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218, USA.
Jianyi YangSchool of Mathematical Sciences, Nankai University, Tianjin 300071, China.
Nankai University · CNTianjin University · CNWashtenaw Community College · US

Funding

I-TASSER based atomic-level protein structure predictionR01GM083107 · NIGMS · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI ZHANG, YANG · 2008 to 2019
$3.5M
Template-based docking refinement approach to protein-protein structure modelingR01GM116960 · NIGMS · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI ZHANG, YANG · 2016 to 2019
$1.4M
NIGMS NIH HHS R01 GM083107NIGMS NIH HHS R01 GM116960
6 · The paper itself

Abstract

The identification of protein-ligand binding sites is critical to protein function annotation and drug discovery. The consensus algorithm COACH developed by us represents one of the most efficient approaches to protein-ligand binding sites prediction. One of the most commonly seen issues with the COACH prediction are the low quality of the predicted ligand-binding poses, which usually have severe steric clashes to the protein structure. Here, we present COACH-D, an enhanced version of COACH by utilizing molecular docking to refine the ligand-binding poses. The input to the COACH-D server is the amino acid sequence or the three-dimensional structure of a query protein. In addition, the users can also submit their own ligand of interest. For each job submission, the COACH algorithm is first used to predict the protein-ligand binding sites. The ligands from the users or the templates are then docked into the predicted binding pockets to build their complex structures. Blind tests show that the algorithm significantly outperforms other ligand-binding sites prediction methods. Benchmark tests show that the steric clashes between the ligand and the protein structures in the COACH models are reduced by 85% after molecular docking in COACH-D. The COACH-D server is freely available to all users at http://yanglab.nankai.edu.cn/COACH-D/.

Indexed as

AlgorithmsSoftwareAmino Acid SequenceBenchmarkingBinding SitesComputational BiologyDatabases, ProteinHumansInternetLigandsMolecular Docking SimulationProtein BindingProtein Interaction Domains and MotifsProteinsProtein Structure, SecondaryLigandsProteins

Identifiers

PMID29846643
PMCPMC6030866
OpenAlexW2807540482

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC
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.