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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/69509
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dc.contributor.authorda Silveira, Nelson José Freitas-
dc.contributor.authorBonalumi, Carlos Eduardo-
dc.contributor.authorArcuri, Helen Andrade-
dc.contributor.authorde Azevedo Jr., Walter Filgueira-
dc.date.accessioned2014-05-27T11:22:24Z-
dc.date.accessioned2016-10-25T18:23:33Z-
dc.date.available2014-05-27T11:22:24Z-
dc.date.available2016-10-25T18:23:33Z-
dc.date.issued2007-01-01-
dc.identifierhttp://www.ingentaconnect.com/content/ben/cbio/2007/00000002/00000001/art00001-
dc.identifier.citationCurrent Bioinformatics, v. 2, n. 1, p. 1-10, 2007.-
dc.identifier.issn1574-8936-
dc.identifier.urihttp://hdl.handle.net/11449/69509-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/69509-
dc.description.abstractDBMODELING is a relational database of annotated comparative protein structure models and their metabolic, pathway characterization. It is focused on enzymes identified in the genomes of Mycobacterium tuberculosis and Xylella fastidiosa. The main goal of the present database is to provide structural models to be used in docking simulations and drug design. However, since the accuracy of structural models is highly dependent on sequence identity between template and target, it is necessary to make clear to the user that only models which show high structural quality should be used in such efforts. Molecular modeling of these genomes generated a database, in which all structural models were built using alignments presenting more than 30% of sequence identity, generating models with medium and high accuracy. All models in the database are publicly accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools. DBMODELING user interface provides users friendly menus, so that all information can be printed in one stop from any web browser. Furthermore, DBMODELING also provides a docking interface, which allows the user to carry out geometric docking simulation, against the molecular models available in the database. There are three other important homology model databases: MODBASE, SWISSMODEL, and GTOP. The main applications of these databases are described in the present article. © 2007 Bentham Science Publishers Ltd.en
dc.format.extent1-10-
dc.language.isoeng-
dc.sourceScopus-
dc.subjectDatabases-
dc.subjectDrug design-
dc.subjectMolecular modeling-
dc.subjectProtein prediction servers-
dc.subjectStructural bioinformatics-
dc.subject3 phosphoshikimate 1 carboxyvinyltransferase inhibitor-
dc.subjecttransferase inhibitor-
dc.subjectunclassified drug-
dc.subjectaccess to information-
dc.subjectaccuracy-
dc.subjectamino acid sequence-
dc.subjectantibacterial activity-
dc.subjectautomation-
dc.subjectbacterial genome-
dc.subjectbioinformatics-
dc.subjectclient server application-
dc.subjectcomputer interface-
dc.subjectcomputer prediction-
dc.subjectcomputer program-
dc.subjectcomputer simulation-
dc.subjectdrug design-
dc.subjectdrug research-
dc.subjectdrug structure-
dc.subjectdrug targeting-
dc.subjectenzyme inhibition-
dc.subjecthuman-
dc.subjectInternet-
dc.subjectmolecular model-
dc.subjectMycobacterium tuberculosis-
dc.subjectnonhuman-
dc.subjectnucleotide sequence-
dc.subjectpriority journal-
dc.subjectprotein database-
dc.subjectprotein structure-
dc.subjectreview-
dc.subjectsequence homology-
dc.subjectweb browser-
dc.subjectXylella fastidiosa-
dc.titleMolecular modeling databases: A new way in the search of protein targets for drug developmenten
dc.typeoutro-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionPontifícia Universidade Católica do Rio Grande do Sul (PUCRS)-
dc.contributor.institutionFaculdade de Medicina de São José do Rio Preto (FAMERP)-
dc.contributor.institutionUNIVAP-
dc.description.affiliationPrograma de Pós-Graduação em Biofisica Molecular Departamento de Física UNESP, Sao Jose do Rio Preto, SP 15054-000-
dc.description.affiliationFaculdade de Biociências PUCRS, Porto Alegre, RS 90619-900-
dc.description.affiliationDepartamento de Biologia Molecular Faculdade de Medicina de São José do Rio Preto - FAMERP, Sao Jose do Rio Preto, SP 15090-000-
dc.description.affiliationInstituto de Pesquisa e Desenvolvimento UNIVAP, Sao Jose dos Campos, SP 12244-000-
dc.description.affiliationUnespPrograma de Pós-Graduação em Biofisica Molecular Departamento de Física UNESP, Sao Jose do Rio Preto, SP 15054-000-
dc.identifier.wosWOS:000244444500001-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofCurrent Bioinformatics-
dc.identifier.scopus2-s2.0-34248202756-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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