Bottoni A - Search Results

1

The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation.

Marforio TD, Bottoni A, Calvaresi M, Fabbri D, Giacinto P, Zerbetto F. Marforio TD, et al. Among authors: bottoni a. Chemphyschem. 2016 Dec 5;17(23):3948-3953. doi: 10.1002/cphc.201600869. Epub 2016 Oct 5. Chemphyschem. 2016. PMID: 27643799

2

The catalytic activity of proline racemase: a quantum mechanical/molecular mechanical study.

Stenta M, Calvaresi M, Altoè P, Spinelli D, Garavelli M, Bottoni A. Stenta M, et al. Among authors: bottoni a. J Phys Chem B. 2008 Jan 31;112(4):1057-9. doi: 10.1021/jp7104105. Epub 2007 Nov 29. J Phys Chem B. 2008. PMID: 18044876

3

Computational evidence for the catalytic mechanism of glutaminyl cyclase. A DFT investigation.

Calvaresi M, Garavelli M, Bottoni A. Calvaresi M, et al. Among authors: bottoni a. Proteins. 2008 Nov 15;73(3):527-38. doi: 10.1002/prot.22061. Proteins. 2008. PMID: 18470930

4

A combined theoretical and experimental investigation on the enantioselective oxidation of aryl benzyl sulfides in the presence of a chiral titanium catalyst.

Naso F, Capozzi MA, Bottoni A, Calvaresi M, Bertolasi V, Capitelli F, Cardellicchio C. Naso F, et al. Among authors: bottoni a. Chemistry. 2009 Dec 14;15(48):13417-26. doi: 10.1002/chem.200902110. Chemistry. 2009. PMID: 19908267

5

Computational evidence for the catalytic mechanism of caspase-7. A DFT investigation.

Miscione GP, Calvaresi M, Bottoni A. Miscione GP, et al. Among authors: bottoni a. J Phys Chem B. 2010 Apr 8;114(13):4637-45. doi: 10.1021/jp908991z. J Phys Chem B. 2010. PMID: 20225841

6

Computational evidence for the substrate-assisted catalytic mechanism of O-GlcNAcase. A DFT investigation.

Bottoni A, Pietro Miscione G, Calvaresi M. Bottoni A, et al. Phys Chem Chem Phys. 2011 May 28;13(20):9568-77. doi: 10.1039/c0cp02308f. Epub 2011 Apr 13. Phys Chem Chem Phys. 2011. PMID: 21487632

7

Conformational selection of ubiquitin quaternary structures driven by zinc ions.

Fermani S, Falini G, Calvaresi M, Bottoni A, Calò V, Mangini V, Arnesano F, Natile G. Fermani S, et al. Among authors: bottoni a. Chemistry. 2013 Nov 11;19(46):15480-4. doi: 10.1002/chem.201302229. Epub 2013 Oct 10. Chemistry. 2013. PMID: 24123543

8

C60@Lysozyme: direct observation by nuclear magnetic resonance of a 1:1 fullerene protein adduct.

Calvaresi M, Arnesano F, Bonacchi S, Bottoni A, Calò V, Conte S, Falini G, Fermani S, Losacco M, Montalti M, Natile G, Prodi L, Sparla F, Zerbetto F. Calvaresi M, et al. Among authors: bottoni a. ACS Nano. 2014 Feb 25;8(2):1871-7. doi: 10.1021/nn4063374. Epub 2014 Jan 31. ACS Nano. 2014. PMID: 24450489

9

Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.

Capozzi MA, Capitelli F, Bottoni A, Calvaresi M, Cardellicchio C. Capozzi MA, et al. Among authors: bottoni a. J Org Chem. 2014 Nov 21;79(22):11101-9. doi: 10.1021/jo502094g. Epub 2014 Nov 7. J Org Chem. 2014. PMID: 25340281

10

Graphene can wreak havoc with cell membranes.

Dallavalle M, Calvaresi M, Bottoni A, Melle-Franco M, Zerbetto F. Dallavalle M, et al. Among authors: bottoni a. ACS Appl Mater Interfaces. 2015 Feb 25;7(7):4406-14. doi: 10.1021/am508938u. Epub 2015 Feb 11. ACS Appl Mater Interfaces. 2015. PMID: 25648559

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