Lupieri P - Search Results

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Computational molecular biology approaches to ligand-target interactions.

Lupieri P, Nguyen CH, Bafghi ZG, Giorgetti A, Carloni P. Lupieri P, et al. HFSP J. 2009 Aug;3(4):228-39. doi: 10.2976/1.3092784. Epub 2009 Mar 10. HFSP J. 2009. PMID: 20119480 Free PMC article.

Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car-Parrinello and TDDFT/CASPT2 Calculations.

Lupieri P, Ippoliti E, Altoè P, Garavelli M, Mwalaba M, Carloni P. Lupieri P, et al. J Chem Theory Comput. 2010 Nov 9;6(11):3403-9. doi: 10.1021/ct100384f. J Chem Theory Comput. 2010. PMID: 26617094

Structural prediction of a rhodamine-based biosensor and comparison with biophysical data.

Gonçalves MB, Dreyer J, Lupieri P, Barrera-Patiño C, Ippoliti E, Webb MR, Corrie JE, Carloni P. Gonçalves MB, et al. Among authors: lupieri p. Phys Chem Chem Phys. 2013 Feb 14;15(6):2177-83. doi: 10.1039/c2cp42396k. Epub 2012 Dec 17. Phys Chem Chem Phys. 2013. PMID: 23247608

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