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WEBnm@: a web application for normal mode analyses of proteins

BACKGROUND: Normal mode analysis (NMA) has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecular assemblies, such as transmembrane channels or virus capsids. NMA relies on the hypothesis that the vibrational normal m...

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Detalles Bibliográficos
Autores principales: Hollup, Siv Midtun, Salensminde, Gisle, Reuter, Nathalie
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2005
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1274249/
https://www.ncbi.nlm.nih.gov/pubmed/15762993
http://dx.doi.org/10.1186/1471-2105-6-52
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author Hollup, Siv Midtun
Salensminde, Gisle
Reuter, Nathalie
author_facet Hollup, Siv Midtun
Salensminde, Gisle
Reuter, Nathalie
author_sort Hollup, Siv Midtun
collection PubMed
description BACKGROUND: Normal mode analysis (NMA) has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecular assemblies, such as transmembrane channels or virus capsids. NMA relies on the hypothesis that the vibrational normal modes having the lowest frequencies (also named soft modes) describe the largest movements in a protein and are the ones that are functionally relevant. RESULTS: We developed a web-based server to perform normal modes calculations and different types of analyses. Starting from a structure file provided by the user in the PDB format, the server calculates the normal modes and subsequently offers the user a series of automated calculations; normalized squared atomic displacements, vector field representation and animation of the first six vibrational modes. Each analysis is performed independently from the others and results can be visualized using only a web browser. No additional plug-in or software is required. For users who would like to analyze the results with their favorite software, raw results can also be downloaded. The application is available on . We present here the underlying theory, the application architecture and an illustration of its features using a large transmembrane protein as an example. CONCLUSION: We built an efficient and modular web application for normal mode analysis of proteins. Non specialists can easily and rapidly evaluate the degree of flexibility of multi-domain protein assemblies and characterize the large amplitude movements of their domains.
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spelling pubmed-12742492005-10-29 WEBnm@: a web application for normal mode analyses of proteins Hollup, Siv Midtun Salensminde, Gisle Reuter, Nathalie BMC Bioinformatics Software BACKGROUND: Normal mode analysis (NMA) has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecular assemblies, such as transmembrane channels or virus capsids. NMA relies on the hypothesis that the vibrational normal modes having the lowest frequencies (also named soft modes) describe the largest movements in a protein and are the ones that are functionally relevant. RESULTS: We developed a web-based server to perform normal modes calculations and different types of analyses. Starting from a structure file provided by the user in the PDB format, the server calculates the normal modes and subsequently offers the user a series of automated calculations; normalized squared atomic displacements, vector field representation and animation of the first six vibrational modes. Each analysis is performed independently from the others and results can be visualized using only a web browser. No additional plug-in or software is required. For users who would like to analyze the results with their favorite software, raw results can also be downloaded. The application is available on . We present here the underlying theory, the application architecture and an illustration of its features using a large transmembrane protein as an example. CONCLUSION: We built an efficient and modular web application for normal mode analysis of proteins. Non specialists can easily and rapidly evaluate the degree of flexibility of multi-domain protein assemblies and characterize the large amplitude movements of their domains. BioMed Central 2005-03-11 /pmc/articles/PMC1274249/ /pubmed/15762993 http://dx.doi.org/10.1186/1471-2105-6-52 Text en Copyright © 2005 Hollup et al; licensee BioMed Central Ltd.
spellingShingle Software
Hollup, Siv Midtun
Salensminde, Gisle
Reuter, Nathalie
WEBnm@: a web application for normal mode analyses of proteins
title WEBnm@: a web application for normal mode analyses of proteins
title_full WEBnm@: a web application for normal mode analyses of proteins
title_fullStr WEBnm@: a web application for normal mode analyses of proteins
title_full_unstemmed WEBnm@: a web application for normal mode analyses of proteins
title_short WEBnm@: a web application for normal mode analyses of proteins
title_sort webnm@: a web application for normal mode analyses of proteins
topic Software
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1274249/
https://www.ncbi.nlm.nih.gov/pubmed/15762993
http://dx.doi.org/10.1186/1471-2105-6-52
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