Conformational Flexibility in Designing Peptides for Immunology: The Molecular Dynamics Approach (Journal article)

Stavrakoudis, A.

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dc.contributor.authorStavrakoudis, A.en
dc.rightsDefault Licence-
dc.subjectb cellen
dc.subjectt cellen
dc.subjectcomplement systemen
dc.subjectcomputer simulationen
dc.subjectantibody-antigen interactionsen
dc.subjectmolecular dynamicsen
dc.subjectepitope predictionen
dc.subjectvaccine designen
dc.subjectmain immunogenic regionen
dc.subjectantibody-antigen interactionsen
dc.subjectprotein-protein interactionsen
dc.subjectfree-energy simulationsen
dc.subjectin-silico predictionen
dc.subjectmhc class-ien
dc.subjectdrug designen
dc.subjectconfigurational entropyen
dc.titleConformational Flexibility in Designing Peptides for Immunology: The Molecular Dynamics Approachen
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.secondary<Go to ISI>://000280525300005-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Οικονομικών και Κοινωνικών Επιστημών. Τμήμα Οικονομικών Επιστημώνel
heal.abstractComputational modeling techniques and computer simulations have become a routine in biological sciences and have gained great attention from researchers. Molecular dynamics simulation is a valuable tool towards an understanding of the complex structure of biological systems, especially in the study of the flexibility of the biological molecules such as peptides or proteins. Peptides play a very important role in human physiology and control many of the processes involved in the immune system response. Designing new and optimal peptide vaccines is one of the hottest challenges of the 21(st) century science and it brings together researchers from different fields. Molecular dynamics simulations have proven to be a helpful tool assisting laboratory work, saving financial sources and opening possibilities for exploring properties of the molecular systems that are hardly accessible by conventional experimental methods. Present review is dedicated to the recent contributions in applications of molecular dynamics simulations in peptide design for immunological purposes, such as B or T cell epitopes.en
heal.journalNameCurrent Computer-Aided Drug Designen
heal.journalTypepeer reviewed-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά)

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