Sfoglia per Autore
Isotope Exchange in Disulfur Monoxide-Water Charged Complexes: a Mass Spectrometric and Computational Study
2007 G. de Petris; A. Troiani; G. Angelini; O. Ursini; A. Bottoni; M. Calvaresi
Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems?
2007 Matteo Calvaresi; Andrea Bottoni; Marco Garavelli
Stereoselective synthesis and conformational analysis of unnatural tetrapeptides. Part 2
2007 G. M. Almiento; D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi
Mechanism of the gas phase reactions of the C5H5Ni+ and C5H5Co+ ions with substituted pyridines. A combined experimental and theoretical study
2007 G.P. Miscione; S. Torroni; G. Innorta; A. Bottoni
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction
2007 P. Altoè; M. Stenta; A. Bottoni; M. Garavelli
Synthesis of Ethyl 5-Hydroxyisoxazolidine-4-carboxylates via Michael Addition/Intramolecular Hemiketalisation
2008 F. Benfatti; A. Bottoni; L. Gentilucci; M. Monari; E. Mosconi; M. Stenta; A. Tolomelli
Catalytic mechanism of L,L-diaminopimelic acid with diaminopimelate epimerase by molecular docking simulations
2008 L. Brunetti; R. Galeazzi; M. Orena; A. Bottoni
Computational Evidence for the Catalytic Mechanism of Glutaminyl Cyclase. A DFT Investigation
2008 M. Calvaresi; M. Garavelli; A. Bottoni
3-Bromozinc Propenyl Esters: an Experimental and Theoretical Study of the Unique Stereocrossover Observed in their Addition to Aromatic and Aliphatic Aldehydes
2008 A. Bottoni; M. Lombardo; G. P. Miscione; J. B. Pujol Alguè; C. Trombini
The Catalytic Activity of Proline Racemase: a QM/MM Study
2008 M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; A. Bottoni
Structure and Stability of Short β-Peptide Nanotubes: A Non-Natural Representative of Collagen?
2008 A. Czajlik; T. Beke; A. Bottoni; A. Perczel
The cycloaddition reaction between alpha-bromo vinylketenes and imines: a combined experimental and theoretical study.
2008 F. Benfatti; A. Bottoni; G. Cardillo; S. Fabbroni; L. Gentilucci; M. Stenta; A. Tolomelli
Conformational Analysis of Hexapseudopeptides Mimicking Reverse Turn Structures Induced by a Modified (S)-Proline. A Combined Spectroscopic and Molecular Dynamics Investigation. Part 4
2009 M. Calvaresi; D. Balducci; A. Bottoni; G. Porzi
Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model
2009 P. Altoé; T. Climent; G. C. De Fusco; M. Stenta; A. Bottoni; L. Serrano-Andrés; M. Merchàn; G. Orlandi; M. Garavelli
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.
2009 G. Tomasello; G. Olaso-Gonzalez; P. Altoè; M. Stenta; L. Serrano-Andrès; M. Merchan; G. Orlandi; A. Bottoni; M. Garavelli
Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation
2009 M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; R. Galeazzi; A. Bottoni
A Combined Theoretical and Experimental Investigation on the Enantioselective Oxidation of Aryl Benzyl Sulfides in the Presence of a Chiral Titanium Catalyst
2009 A. Bottoni; M. Calvaresi; V. Bertolasi; F. Capitelli; M. A. M. Capozzi; C. Cardellicchio; F. Naso
Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation
2010 M. Bandini; A. Bottoni; A. Eichholzer; G. P. Miscione; M. Stenta
Shedding a new light on photolyases: Accurate molecular modeling as a tool for undestanding DNA repairing enzymes
2010 Stenta M.; Dal Peraro M.; Garavelli M.; Altoe P.; Di Domenico M.; Bottoni A.
Common catalytic features among cofactor independent racemases and epimerases: A computational perspective
2010 Stenta M.; Altoe P.; Dal Peraro M.; Garavelli M.; Bottoni A.
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