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Open AccessJournal ArticleDOI

GalaxyWEB server for protein structure prediction and refinement

TLDR
The GalaxyWEB server predicts protein structure from sequence by template-based modeling and refines loop or terminus regions by ab initio modeling and generates reliable core structures from multiple templates and re-builds unreliable loops or termini by using an optimization-based refinement method.
Abstract
Three-dimensional protein structures provide invaluable information for understanding and regulating biological functions of proteins. The GalaxyWEB server predicts protein structure from sequence by template-based modeling and refines loop or terminus regions by ab initio modeling. This web server is based on the method tested in CASP9 (9th Critical Assessment of techniques for protein Structure Prediction) as ‘Seok-server’, which was assessed to be among top performing template-based modeling servers. The method generates reliable core structures from multiple templates and re-builds unreliable loops or termini by using an optimization-based refinement method. In addition to structure prediction, a user can also submit a refinement only job by providing a starting model structure and locations of loops or termini to refine. The web server can be freely accessed at http://galaxy.seoklab.org/.

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Journal ArticleDOI

GalaxyRefine: protein structure refinement driven by side-chain repacking

TL;DR: The GalaxyRefine web server, freely available at http://galaxy.seoklab.org/refine, is based on a refinement method that has been successfully tested in CASP10 and can improve both global and local structure quality on average, when used for refining the models generated by state-of-the-art protein structure prediction servers.
Journal ArticleDOI

The product of C9orf72, a gene strongly implicated in neurodegeneration, is structurally related to DENN Rab-GEFs

TL;DR: The results suggest that C9ORF72 is likely to regulate membrane traffic in conjunction with Rab-GTPase switches, and it is proposed to name the gene and its product DENN-like 72 (DENNL72).
Journal ArticleDOI

Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase.

TL;DR: It is proposed that Ralteg Gravir, Paritaprevir, Bictegravir and DolutegravIR are excellent lead candidates for these crucial proteins and they could become potential therapeutic drugs against SARS-CoV-2.
Journal ArticleDOI

GalaxyPepDock: a protein–peptide docking tool based on interaction similarity and energy optimization

TL;DR: The GalaxyPepDock web server generates models that are more accurate than the best server models submitted during the CAPRI blind prediction experiment and is superior to those of the other currently available web servers when tested on the PeptiDB set and on recently released complex structures.
Journal ArticleDOI

The trRosetta server for fast and accurate protein structure prediction

TL;DR: The trRosetta (transform-restrained Rosetta) server as discussed by the authors is a web-based platform for fast and accurate protein structure prediction, powered by deep learning and Rosetta.
References
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Journal ArticleDOI

Comparative Protein Modelling by Satisfaction of Spatial Restraints

TL;DR: A comparative protein modelling method designed to find the most probable structure for a sequence given its alignment with related structures, which is automated and illustrated by the modelling of trypsin from two other serine proteinases.
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Comparative protein structure modeling of genes and genomes

TL;DR: There is a need to develop an automated, rapid, robust, sensitive, and accurate comparative modeling pipeline applicable to whole genomes and to encourage new kinds of applications for the many resulting models, based on their large number and completeness at the level of the family, organism, or functional network.
Journal ArticleDOI

TM-align: a protein structure alignment algorithm based on the TM-score.

TL;DR: There exists a significant correlation between the correctness of the predicted structure and the structural similarity of the model to the other proteins in the PDB, which could be used to assist in model selection in blind protein structure predictions.
Journal ArticleDOI

Protein homology detection by HMM--HMM comparison

TL;DR: A method for detecting distant homologous relationships between proteins based on the generalized alignment of protein sequences with a profile hidden Markov model (HMM) to the case of pairwise alignment of profile HMMs is presented.
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PROMALS3D: a tool for multiple protein sequence and structure alignments.

TL;DR: This work explores the use of 3D structural information to guide sequence alignments constructed by the MSA program PROMALS, and outperforms a number of existing methods for constructing multiple sequence or structural alignments using both reference-dependent and reference-independent evaluation methods.
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