Sfoglia per Autore
Peptides containing 4-amino-1,2-dithiolane-4-carboxylic acid (Adt): conformation of Boc-Adt-Adt-NHMe and NH?S interactions
2005-01-01 Enrico, Morera; Marianna, Nalli; Adriano, Mollica; Mario Paglialunga, Paradisi; Aschi, Massimiliano; Enrico, Gavuzzo; Fernando, Mazza; Gino, Lucente
Role of the amino sugar in the DNA binding of disaccharide anthracyclines: crystal structure of the complex MAR70/d(CGATCG)
2005-01-01 Claudia, Temperini; Maurizio, Cirilli; Aschi, Massimiliano; Giovanni, Ughetto
Dynamical Aspects of TEM-1 ß-Lactamase Probed by Molecular Dynamics
2005-01-01 D., Roccatano; G., Sbardella; G., Amicosante; Aschi, Massimiliano; C., Bossa; A., Di Nola; F., Mazza
Computational study of the reaction of N(2D) atoms with CH2F radicals: An example of a barrier-free reaction involving very high internal energies
2005-01-01 Cimas, A.; Rayon, V. M.; Aschi, Massimiliano; Barrientos, C.; Sordo, J. A.; Largo, A.
Theoretical modeling of vibro-electronic quantum states in complex molecular systems: solvated carbon monoxide, a test case.
2005-01-01 A., Amadei; F., Marinelli; M., D'Abramo; M., D'Alessandro; M., Anselmi; A., Di Nola; Aschi, Massimiliano
Conformational and electronic properties of a microperoxidase in aqueous solution: a computational study
2005-01-01 Di Teodoro, C.; Aschi, M.; Amadei, A.; Roccatano, D.; Malatesta, Francesco; Ottaviano, L.
Relazioni struttura-ritenzione per la previsione del comportamento cromatografico di pesticidi
2005-01-01 Aschi, Massimiliano; D'Archivio, ANGELO ANTONIO; Fanelli, M.; Maggi, M. A.; Mazzeo, P.; Ruggieri, Fabrizio
Dynamical aspects of TEM-1 β-Lactamase probed by molecular dynamics
2005-01-01 Roccatano, Danilo; Sbardella, Gianluca; Aschi, Massimiliano; Amicosante, Gianfranco; Bossa, Cecilia; Di Nola, Alfredo; Mazza, Fernando
Gold-Catalyzed Reactions of 2-Alkynyl-phenylamines with alpha,beta-enones
2005-01-01 Alfonsi, M; Arcadi, Antonio; Aschi, Massimiliano; Bianchi, G; Marinelli, F.
Theoretical characterization of liquid water electronic excitation
2005-01-01 Aschi, Massimiliano; M., D'Abramo; C., DI TEODORO; A., DI NOLA; Amadei, A.
Design, modelling, synthesis and biological evaluation of peptidomimetic phosphinates as inhibitors of matrix metalloproteinases MMP-2 and MMP-8
2005-01-01 Gianluca, Bianchini; Aschi, Massimiliano; Giancarlo, Cavicchio; Crucianelli, Marcello; Serena, Preziuso; Carlo, Gallina; Adele, Nastari; Enrico, Gavuzzo; Fernando, Mazza
A computational study of the reaction of ground-state nitrogen atoms with chloromethyl radicals
2005-01-01 Cimas, A.; Rayon, V. M.; Aschi, Massimiliano; Barrientos, C.; Sordo, J. A.; Largo, A.
Conformational behavior of temporin A and temporin L in aqueous solution: A computational/experimental study
2006-01-01 M., D'Abramo; M. C., Rinaldi; Bozzi, Argante; G., Mignogna; A., DI NOLA; Aschi, Massimiliano
On the Effect of a Point Mutation on the Reactivity of CuZn Superoxide Dismutase: A Theoretical Study
2006-01-01 A., Amadei; M., D'Alessandro; M., Paci; A., Di Nola; Aschi, Massimiliano
Reaction of N(2D) atoms with bromomethyl radicals: A theoretical
2006-01-01 Cimas, A.; Rayon, V. M.; Barrientos, C.; Aschi, Massimiliano; Sordo, J. A.; Largo, A.
On the reaction of ground-state nitrogen atoms with bromomethyl radicals: A computational study
2006-01-01 Alvaro, Cimas; Víctor M., Rayón; Aschi, Massimiliano; Carmen, Barrientos; José A., Sordo; Antonio, Largo
On the performance of gradient-corrected approximation functionals and polarizable continuum model in the study of 1,2,3-triazine in water
2006-01-01 Costantino, Zazza*; Andrea, Grandi; Luigi, Bencivenni; Aschi, Massimiliano
On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: acetone in water
2006-01-01 M., D'Abramo; Aschi, Massimiliano; A., Di Nola; A., Amadei
On the formation of horseradish peroxidase compound I at high pH: new insights from ab initio molecular dynamics
2006-01-01 Costantino, Zazza; Amedeo, Palma; Aschi, Massimiliano
Conformational properties of β-residue-containing oligopeptides in apolar solvent
2006-01-01 Aschi, Massimiliano; Adriano, Mollica; Gino, Lucente; Mario Paglialunga, Paradisi; Fernando, Mazza
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Peptides containing 4-amino-1,2-dithiolane-4-carboxylic acid (Adt): conformation of Boc-Adt-Adt-NHMe and NH?S interactions | 1-gen-2005 | Enrico, Morera; Marianna, Nalli; Adriano, Mollica; Mario Paglialunga, Paradisi; Aschi, Massimiliano; Enrico, Gavuzzo; Fernando, Mazza; Gino, Lucente | |
Role of the amino sugar in the DNA binding of disaccharide anthracyclines: crystal structure of the complex MAR70/d(CGATCG) | 1-gen-2005 | Claudia, Temperini; Maurizio, Cirilli; Aschi, Massimiliano; Giovanni, Ughetto | |
Dynamical Aspects of TEM-1 ß-Lactamase Probed by Molecular Dynamics | 1-gen-2005 | D., Roccatano; G., Sbardella; G., Amicosante; Aschi, Massimiliano; C., Bossa; A., Di Nola; F., Mazza | |
Computational study of the reaction of N(2D) atoms with CH2F radicals: An example of a barrier-free reaction involving very high internal energies | 1-gen-2005 | Cimas, A.; Rayon, V. M.; Aschi, Massimiliano; Barrientos, C.; Sordo, J. A.; Largo, A. | |
Theoretical modeling of vibro-electronic quantum states in complex molecular systems: solvated carbon monoxide, a test case. | 1-gen-2005 | A., Amadei; F., Marinelli; M., D'Abramo; M., D'Alessandro; M., Anselmi; A., Di Nola; Aschi, Massimiliano | |
Conformational and electronic properties of a microperoxidase in aqueous solution: a computational study | 1-gen-2005 | Di Teodoro, C.; Aschi, M.; Amadei, A.; Roccatano, D.; Malatesta, Francesco; Ottaviano, L. | |
Relazioni struttura-ritenzione per la previsione del comportamento cromatografico di pesticidi | 1-gen-2005 | Aschi, Massimiliano; D'Archivio, ANGELO ANTONIO; Fanelli, M.; Maggi, M. A.; Mazzeo, P.; Ruggieri, Fabrizio | |
Dynamical aspects of TEM-1 β-Lactamase probed by molecular dynamics | 1-gen-2005 | Roccatano, Danilo; Sbardella, Gianluca; Aschi, Massimiliano; Amicosante, Gianfranco; Bossa, Cecilia; Di Nola, Alfredo; Mazza, Fernando | |
Gold-Catalyzed Reactions of 2-Alkynyl-phenylamines with alpha,beta-enones | 1-gen-2005 | Alfonsi, M; Arcadi, Antonio; Aschi, Massimiliano; Bianchi, G; Marinelli, F. | |
Theoretical characterization of liquid water electronic excitation | 1-gen-2005 | Aschi, Massimiliano; M., D'Abramo; C., DI TEODORO; A., DI NOLA; Amadei, A. | |
Design, modelling, synthesis and biological evaluation of peptidomimetic phosphinates as inhibitors of matrix metalloproteinases MMP-2 and MMP-8 | 1-gen-2005 | Gianluca, Bianchini; Aschi, Massimiliano; Giancarlo, Cavicchio; Crucianelli, Marcello; Serena, Preziuso; Carlo, Gallina; Adele, Nastari; Enrico, Gavuzzo; Fernando, Mazza | |
A computational study of the reaction of ground-state nitrogen atoms with chloromethyl radicals | 1-gen-2005 | Cimas, A.; Rayon, V. M.; Aschi, Massimiliano; Barrientos, C.; Sordo, J. A.; Largo, A. | |
Conformational behavior of temporin A and temporin L in aqueous solution: A computational/experimental study | 1-gen-2006 | M., D'Abramo; M. C., Rinaldi; Bozzi, Argante; G., Mignogna; A., DI NOLA; Aschi, Massimiliano | |
On the Effect of a Point Mutation on the Reactivity of CuZn Superoxide Dismutase: A Theoretical Study | 1-gen-2006 | A., Amadei; M., D'Alessandro; M., Paci; A., Di Nola; Aschi, Massimiliano | |
Reaction of N(2D) atoms with bromomethyl radicals: A theoretical | 1-gen-2006 | Cimas, A.; Rayon, V. M.; Barrientos, C.; Aschi, Massimiliano; Sordo, J. A.; Largo, A. | |
On the reaction of ground-state nitrogen atoms with bromomethyl radicals: A computational study | 1-gen-2006 | Alvaro, Cimas; Víctor M., Rayón; Aschi, Massimiliano; Carmen, Barrientos; José A., Sordo; Antonio, Largo | |
On the performance of gradient-corrected approximation functionals and polarizable continuum model in the study of 1,2,3-triazine in water | 1-gen-2006 | Costantino, Zazza*; Andrea, Grandi; Luigi, Bencivenni; Aschi, Massimiliano | |
On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: acetone in water | 1-gen-2006 | M., D'Abramo; Aschi, Massimiliano; A., Di Nola; A., Amadei | |
On the formation of horseradish peroxidase compound I at high pH: new insights from ab initio molecular dynamics | 1-gen-2006 | Costantino, Zazza; Amedeo, Palma; Aschi, Massimiliano | |
Conformational properties of β-residue-containing oligopeptides in apolar solvent | 1-gen-2006 | Aschi, Massimiliano; Adriano, Mollica; Gino, Lucente; Mario Paglialunga, Paradisi; Fernando, Mazza |
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