Sangam: A Confluence of Knowledge Streams

Computational approaches to shed light on molecular mechanisms in biological processes

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dc.creator Moro, G
dc.creator Bonati, L
dc.creator Bruschi, M
dc.creator Cosentino, U
dc.creator De Gioia, L
dc.creator Fantucci, PC
dc.creator Pandini, A
dc.creator Papaleo, E
dc.creator Pitea, D
dc.creator Saracino, GAA
dc.creator Zampella, G
dc.date 2015-01-30T13:44:10Z
dc.date 2007-05
dc.date 2015-01-30T13:44:10Z
dc.date 2007
dc.date.accessioned 2022-05-25T14:53:46Z
dc.date.available 2022-05-25T14:53:46Z
dc.identifier Theoretical Chemistry Accounts, 117:5-6, pp. 723 - 741, 2007
dc.identifier 1432-881X
dc.identifier http://link.springer.com/article/10.1007%2Fs00214-006-0203-4
dc.identifier http://bura.brunel.ac.uk/handle/2438/10035
dc.identifier http://dx.doi.org/10.1007/s00214-006-0203-4
dc.identifier.uri http://localhost:8080/xmlui/handle/CUHPOERS/172700
dc.description 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.
dc.format 723 - 741
dc.format 723 - 741
dc.language eng
dc.language en
dc.relation Theoretical Chemistry Accounts
dc.relation Theoretical Chemistry Accounts
dc.subject 3D-QSAR
dc.subject Catalysis
dc.subject DFT calculations
dc.subject Prion protein peptide
dc.subject Protein structural flexibility
dc.subject Protein structure prediction
dc.title Computational approaches to shed light on molecular mechanisms in biological processes
dc.type Article


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