Evidence map›Paper›PMID 24669753›Full record

ArticleBMC bioinformatics2014

FreeContact: fast and free software for protein contact prediction from residue co-evolution.

László Kaján, Thomas A Hopf, Matúš Kalaš, Debora S Marks, Burkhard Rost

Abstract read
In one paragraph

Article in BMC bioinformatics, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 82 papers.

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82citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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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

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3 · Its place in the literature

Who cites it

82 citing papers in PubMed.

  1. Article
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  5. Contact-Assisted Threading in Low-Homology Protein Modeling.Methods in molecular biology (Clifton, N.J.) · 2023
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22 more citing papers are in PubMed but not listed here.

4 · The record

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5 · Who and what money

Authors and funding

5 authors.

László Kaján
Thomas A Hopf
Matúš Kalaš
Debora S Marks
Burkhard RostDepartment for Bioinformatics and Computational Biology, TU Munich, Boltzmannstraße 3, Garching 85748, Germany. assistant@rostlab.org.

Funding

Accelerated Determination of 3D Structures of Proteins and ComplexesR01GM106303 · NIGMS · SLOAN-KETTERING INST CAN RESEARCH · PI SANDER, CHRIS · 2013 to 2016
$1.7M
NIGMS NIH HHS R01 GM106303
6 · The paper itself

Abstract

background20 years of improved technology and growing sequences now renders residue-residue contact constraints in large protein families through correlated mutations accurate enough to drive de novo predictions of protein three-dimensional structure. The method EVfold broke new ground using mean-field Direct Coupling Analysis (EVfold-mfDCA); the method PSICOV applied a related concept by estimating a sparse inverse covariance matrix. Both methods (EVfold-mfDCA and PSICOV) are publicly available, but both require too much CPU time for interactive applications. On top, EVfold-mfDCA depends on proprietary software.

resultsHere, we present FreeContact, a fast, open source implementation of EVfold-mfDCA and PSICOV. On a test set of 140 proteins, FreeContact was almost eight times faster than PSICOV without decreasing prediction performance. The EVfold-mfDCA implementation of FreeContact was over 220 times faster than PSICOV with negligible performance decrease. EVfold-mfDCA was unavailable for testing due to its dependency on proprietary software. FreeContact is implemented as the free C++ library "libfreecontact", complete with command line tool "freecontact", as well as Perl and Python modules. All components are available as Debian packages. FreeContact supports the BioXSD format for interoperability.

conclusionsFreeContact provides the opportunity to compute reliable contact predictions in any environment (desktop or cloud).

Indexed as

SoftwareAlgorithmsComputational BiologyProtein ConformationProteinsSequence Analysis, ProteinProteins

Identifiers

PMID24669753
PMCPMC3987048

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LicenceCC BY
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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.