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Emiliano Ippoliti
Emiliano Ippoliti
Verified email at fz-juelich.de
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Year
Bioinorganic chemistry of Parkinson’s disease: structural determinants for the copper-mediated amyloid formation of alpha-synuclein
A Binolfi, EE Rodriguez, D Valensin, N D’Amelio, E Ippoliti, G Obal, ...
Inorganic chemistry 49 (22), 10668-10679, 2010
1372010
Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion
C Zhang, DG Knyazev, YA Vereshaga, E Ippoliti, TH Nguyen, P Carloni, ...
Proceedings of the National Academy of Sciences 109 (25), 9744-9749, 2012
982012
Towards quantum superpositions of a mirror: an exact open systems analysis
A Bassi, E Ippoliti, SL Adler
Physical review letters 94 (3), 030401, 2005
842005
On the energy increase in space-collapse models
A Bassi, E Ippoliti, B Vacchini
Journal of Physics A: Mathematical and General 38 (37), 8017, 2005
652005
A self-activated mechanism for nucleic acid polymerization catalyzed by DNA/RNA polymerases
V Genna, P Vidossich, E Ippoliti, P Carloni, M De Vivo
Journal of the American Chemical Society 138 (44), 14592-14598, 2016
562016
Platination of the copper transporter ATP7A involved in anticancer drug resistance
V Calandrini, F Arnesano, A Galliani, TH Nguyen, E Ippoliti, P Carloni, ...
Dalton transactions 43 (31), 12085-12094, 2014
392014
Geometric phase for open quantum systems and stochastic unravelings
A Bassi, E Ippoliti
Physical Review A 73 (6), 062104, 2006
392006
Structure and dynamics of oligonucleotides in the gas phase
A Arcella, J Dreyer, E Ippoliti, I Ivani, G Portella, V Gabelica, P Carloni, ...
Angewandte Chemie International Edition 54 (2), 467-471, 2015
382015
Conformational fluctuations of UreG, an intrinsically disordered enzyme
F Musiani, E Ippoliti, C Micheletti, P Carloni, S Ciurli
Biochemistry 52 (17), 2949-2954, 2013
342013
Proton Dynamics in Protein Mass Spectrometry
J Li, W Lyu, G Rossetti, A Konijnenberg, A Natalello, E Ippoliti, M Orozco, ...
The Journal of Physical Chemistry Letters 8 (6), 1105-1112, 2017
322017
Structural determinants of cisplatin and transplatin binding to the Met-rich motif of Ctr1: A computational spectroscopy approach
TH Nguyen, F Arnesano, S Scintilla, G Rossetti, E Ippoliti, P Carloni, ...
Journal of chemical theory and computation 8 (8), 2912-2920, 2012
302012
Towards quantum superpositions of a mirror: an exact open systems analysis—calculational details
SL Adler, A Bassi, E Ippoliti
Journal of Physics A: Mathematical and General 38 (12), 2715, 2005
302005
Extreme scalability of DFT-Based QM/MM MD simulations using MiMiC
V Bolnykh, JMH Olsen, S Meloni, MP Bircher, E Ippoliti, P Carloni, ...
Journal of chemical theory and computation 15 (10), 5601-5613, 2019
272019
Counterion redistribution upon binding of a Tat-protein mimic to HIV-1 TAR RNA
TN Do, E Ippoliti, P Carloni, G Varani, M Parrinello
Journal of chemical theory and computation 8 (2), 688-694, 2012
262012
MiMiC: a novel framework for multiscale modeling in computational chemistry
JMH Olsen, V Bolnykh, S Meloni, E Ippoliti, MP Bircher, P Carloni, ...
Journal of chemical theory and computation 15 (6), 3810-3823, 2019
192019
Structural biology of cisplatin complexes with cellular targets: the adduct with human copper chaperone atox1 in aqueous solution
V Calandrini, TH Nguyen, F Arnesano, A Galliani, E Ippoliti, P Carloni, ...
Chemistry–A European Journal 20 (37), 11719-11725, 2014
192014
All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s
I Ritacco, A Saltalamacchia, A Spinello, E Ippoliti, A Magistrato
The Journal of Physical Chemistry Letters 11 (4), 1189-1193, 2020
182020
Many-body perturbation theory extended to the Quantum Mechanics/Molecular Mechanics Approach: application to indole in water solution
AM Conte, E Ippoliti, R Del Sole, P Carloni, O Pulci
Journal of chemical theory and computation 5 (7), 1822-1828, 2009
182009
Post-translational regulation of CYP450s metabolism as revealed by all-atoms simulations of the aromatase enzyme
I Ritacco, A Spinello, E Ippoliti, A Magistrato
Journal of chemical information and modeling 59 (6), 2930-2940, 2019
172019
Molecular simulation-based structural prediction of protein complexes in mass spectrometry: the human insulin dimer
J Li, G Rossetti, J Dreyer, S Raugei, E Ippoliti, B Lüscher, P Carloni
PLoS computational biology 10 (9), e1003838, 2014
172014
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