Please use this identifier to cite or link to this item: http://buratest.brunel.ac.uk/handle/2438/10035
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dc.contributor.authorMoro, G-
dc.contributor.authorBonati, L-
dc.contributor.authorBruschi, M-
dc.contributor.authorCosentino, U-
dc.contributor.authorDe Gioia, L-
dc.contributor.authorFantucci, PC-
dc.contributor.authorPandini, A-
dc.contributor.authorPapaleo, E-
dc.contributor.authorPitea, D-
dc.contributor.authorSaracino, GAA-
dc.contributor.authorZampella, G-
dc.date.accessioned2015-01-30T13:44:10Z-
dc.date.available2007-05-
dc.date.available2015-01-30T13:44:10Z-
dc.date.issued2007-
dc.identifier.citationTheoretical Chemistry Accounts, 117:5-6, pp. 723 - 741, 2007en_US
dc.identifier.issn1432-881X-
dc.identifier.urihttp://link.springer.com/article/10.1007%2Fs00214-006-0203-4-
dc.identifier.urihttp://bura.brunel.ac.uk/handle/2438/10035-
dc.description.abstractComputational approaches based on Molecular Dynamics simulations, Quantum Mechanical methods and 3D Quantitative Structure-Activity Relationships were employed by computational chemistry groups at the University of Milano-Bicocca to study biological processes at the molecular level. The paper reports the methodologies adopted and the results obtained on Aryl hydrocarbon Receptor and homologous PAS proteins mechanisms, the properties of prion protein peptides, the reaction pathway of hydrogenase and peroxidase enzymes and the defibrillogenic activity of tetracyclines. © Springer-Verlag 2007.en_US
dc.format.extent723 - 741-
dc.format.extent723 - 741-
dc.languageeng-
dc.language.isoenen_US
dc.subject3D-QSARen_US
dc.subjectCatalysisen_US
dc.subjectDFT calculationsen_US
dc.subjectPrion protein peptideen_US
dc.subjectProtein structural flexibilityen_US
dc.subjectProtein structure predictionen_US
dc.titleComputational approaches to shed light on molecular mechanisms in biological processesen_US
dc.typeArticleen_US
dc.identifier.doihttp://dx.doi.org/10.1007/s00214-006-0203-4-
dc.relation.isPartOfTheoretical Chemistry Accounts-
dc.relation.isPartOfTheoretical Chemistry Accounts-
pubs.issue5-6-
pubs.issue5-6-
pubs.volume117-
pubs.volume117-
pubs.organisational-data/Brunel-
pubs.organisational-data/Brunel/Brunel Staff by College/Department/Division-
pubs.organisational-data/Brunel/Brunel Staff by College/Department/Division/College of Engineering, Design and Physical Sciences-
pubs.organisational-data/Brunel/Brunel Staff by College/Department/Division/College of Engineering, Design and Physical Sciences/Dept of Computer Science-
pubs.organisational-data/Brunel/Brunel Staff by College/Department/Division/College of Engineering, Design and Physical Sciences/Dept of Computer Science/Computer Science-
Appears in Collections:Dept of Computer Science Research Papers

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