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Moro G, Bonati L, Bruschi M, et al. Computational approaches to shed light on molecular mechanisms in biological processes. Theor Chem Acc. 2007;117(5):723-741doi: 10.1007/s00214-006-0203-4.
Moro, G., Bonati, L., Bruschi, M., Cosentino, U., De Gioia, L., Fantucci, P. C., Pandini, A., Papaleo, E., Pitea, D., Saracino, G. A., & Zampella, G. (2007). Computational approaches to shed light on molecular mechanisms in biological processes. Theoretical chemistry accounts, 117(5), 723-741. https://doi.org/10.1007/s00214-006-0203-4
Moro, Giorgio, et al. "Computational approaches to shed light on molecular mechanisms in biological processes." Theoretical chemistry accounts vol. 117,5 (2007): 723-741. doi: https://doi.org/10.1007/s00214-006-0203-4
Moro G, Bonati L, Bruschi M, Cosentino U, De Gioia L, Fantucci PC, Pandini A, Papaleo E, Pitea D, Saracino GA, Zampella G. Computational approaches to shed light on molecular mechanisms in biological processes. Theor Chem Acc. 2007 May 01;117(5):723-741. doi: 10.1007/s00214-006-0203-4. PMID: 21415934; PMCID: PMC3057205.
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Theor Chem Acc. 2007 May 01;117(5):723-741. doi: 10.1007/s00214-006-0203-4.

Computational approaches to shed light on molecular mechanisms in biological processes.

Theoretical chemistry accounts

Giorgio Moro, Laura Bonati, Maurizio Bruschi, Ugo Cosentino, Luca De Gioia, Pier Carlo Fantucci, Alessandro Pandini, Elena Papaleo, Demetrio Pitea, Gloria A A Saracino, Giuseppe Zampella

Affiliations

  1. Dipartimento di Biotecnologie e Bioscienze, Università di Milano-Bicocca, Piazza della Scienza, Milano 20126, Italy.

PMID: 21415934 PMCID: PMC3057205 DOI: 10.1007/s00214-006-0203-4

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.

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