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http://bura.brunel.ac.uk/handle/2438/10035
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DC Field | Value | Language |
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dc.contributor.author | Moro, G | - |
dc.contributor.author | Bonati, L | - |
dc.contributor.author | Bruschi, M | - |
dc.contributor.author | Cosentino, U | - |
dc.contributor.author | De Gioia, L | - |
dc.contributor.author | Fantucci, PC | - |
dc.contributor.author | Pandini, A | - |
dc.contributor.author | Papaleo, E | - |
dc.contributor.author | Pitea, D | - |
dc.contributor.author | Saracino, GAA | - |
dc.contributor.author | Zampella, G | - |
dc.date.accessioned | 2015-01-30T13:44:10Z | - |
dc.date.available | 2007-05 | - |
dc.date.available | 2015-01-30T13:44:10Z | - |
dc.date.issued | 2007 | - |
dc.identifier.citation | Theoretical Chemistry Accounts, 117:5-6, pp. 723 - 741, 2007 | en_US |
dc.identifier.issn | 1432-881X | - |
dc.identifier.uri | http://link.springer.com/article/10.1007%2Fs00214-006-0203-4 | - |
dc.identifier.uri | http://bura.brunel.ac.uk/handle/2438/10035 | - |
dc.description.abstract | Computational 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.extent | 723 - 741 | - |
dc.format.extent | 723 - 741 | - |
dc.language | eng | - |
dc.language.iso | en | en_US |
dc.subject | 3D-QSAR | en_US |
dc.subject | Catalysis | en_US |
dc.subject | DFT calculations | en_US |
dc.subject | Prion protein peptide | en_US |
dc.subject | Protein structural flexibility | en_US |
dc.subject | Protein structure prediction | en_US |
dc.title | Computational approaches to shed light on molecular mechanisms in biological processes | en_US |
dc.type | Article | en_US |
dc.identifier.doi | http://dx.doi.org/10.1007/s00214-006-0203-4 | - |
dc.relation.isPartOf | Theoretical Chemistry Accounts | - |
dc.relation.isPartOf | Theoretical Chemistry Accounts | - |
pubs.issue | 5-6 | - |
pubs.issue | 5-6 | - |
pubs.volume | 117 | - |
pubs.volume | 117 | - |
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 |
Files in This Item:
File | Description | Size | Format | |
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Fulltext.pdf | 939.29 kB | Adobe PDF | View/Open |
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