Evidence map›Paper›PMID 29092940›Full record

ArticleCancer research2017

DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.

Dinler A Antunes, Mark Moll, Didier Devaurs, Kyle R Jackson, Gregory Lizée, Lydia E Kavraki

Abstract read
In one paragraph

Article in Cancer research, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.

0numbers the graph read from it
0cells of the map it votes in
46citing 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

46 citing papers in PubMed.

  1. Review
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  18. Structural Prediction of Peptide-MHC Binding Modes.Methods in molecular biology (Clifton, N.J.) · 2022
    Review
  19. T-cell epitope-based vaccine designing against Orthohantavirus: a causative agent of deadly cardio-pulmonary disease.Network modeling and analysis in health informatics and bioinformatics · 2022
    Article
  20. Graph representation learning for structural proteomics.Emerging topics in life sciences · 2021
    Review
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.

Dinler A AntunesDepartment of Computer Science, Rice University, Houston, Texas.
Mark MollDepartment of Computer Science, Rice University, Houston, Texas.
Didier DevaursDepartment of Computer Science, Rice University, Houston, Texas.
Kyle R JacksonDepartment of Melanoma Medical Oncology - Research, The University of Texas MD Anderson Cancer Center, Houston, Texas.
Gregory LizéeDepartment of Melanoma Medical Oncology - Research, The University of Texas MD Anderson Cancer Center, Houston, Texas.
Lydia E KavrakiDepartment of Computer Science, Rice University, Houston, Texas. kavraki@rice.edu.

Funding

Structure-based selection of tumor-antigens for T-cell based immunotherapyR21CA209941 · NCI · RICE UNIVERSITY · PI KAVRAKI, LYDIA E., LIZEE, GREGORY A · 2016 to 2017
$384k
NCI NIH HHS R21 CA209941
6 · The paper itself

Abstract

Molecular docking is a standard computational approach to predict binding modes of protein-ligand complexes by exploring alternative orientations and conformations of the ligand (i.e., by exploring ligand flexibility). Docking tools are largely used for virtual screening of small drug-like molecules, but their accuracy and efficiency greatly decays for ligands with more than 10 flexible bonds. This prevents a broader use of these tools to dock larger ligands, such as peptides, which are molecules of growing interest in cancer research. To overcome this limitation, our group has previously proposed a meta-docking strategy, called DINC, to predict binding modes of large ligands. By incrementally docking overlapping fragments of a ligand, DINC allowed predicting binding modes of peptide-based inhibitors of transcription factors involved in cancer. Here, we describe DINC 2.0, a revamped version of the DINC webserver with enhanced capabilities and a more user-friendly interface. DINC 2.0 allows docking ligands that were previously too challenging for DINC, such as peptides with more than 25 flexible bonds. The webserver is freely accessible at http://dinc.kavrakilab.org, together with additional documentation and video tutorials. Our team will provide continuous support for this tool and is working on extending its applicability to other challenging fields, such as personalized immunotherapy against cancer.

Indexed as

SoftwareAlgorithmsBinding SitesHumansLigandsModels, MolecularMolecular Docking SimulationNeoplasmsPeptidesProtein BindingProtein ConformationProteinsLigandsPeptidesProteins

Identifiers

PMID29092940
PMCPMC5679007

What OpenQuestion holds

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Registered trials

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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.