Isabella Daidone: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study

Giampaolo, Alessia Di, Cerichelli, Giorgio, Chiarini, Marco, Daidone, Isabella, Aschi, Massimiliano

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 722 KB

english, 2013

2

[18F]FDG and [18F]FLT PET for the evaluation of response to neo-adjuvant chemotherapy in a model of triple negative breast cancer

Raccagni, Isabella, Belloli, Sara, Valtorta, Silvia, Stefano, Alessandro, Presotto, Luca, Pascali, Claudio, Bogni, Anna, Tortoreto, Monica, Zaffaroni, Nadia, Daidone, Maria Grazia, Russo, Giorgio, Bom

Journal:

Year:

2018

Language:

english

File:

PDF, 7.84 MB

english, 2018

3

The Hydration Shell of Antifreeze Proteins:Unveiling the Role of Non-Ice-Binding Surfaces

Zanetti-Polzi, Laura, Biswas, Akash Deep, Del Galdo, Sara, Barone, Vincenzo, Daidone, Isabella

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 6.34 MB

english, 2019

4

Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution

Sylvia E. McLain, Alan K. Soper, Isabella Daidone, Jeremy C. Smith, Anthony Watts

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 640 KB

english, 2008

5

Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution

Sylvia E. McLain, Alan K. Soper, Isabella Daidone, Jeremy C. Smith, Anthony Watts

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 640 KB

english, 2008

6

A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent

Dagmar Flöck, Isabella Daidone, Alfredo Di Nola

Journal:

Year:

2004

Language:

english

File:

PDF, 258 KB

english, 2004

7

On the origin of IR spectral changes upon protein folding

Isabella Daidone, Massimiliano Aschi, Laura Zanetti-Polzi, Alfredo Di Nola, Andrea Amadei

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 423 KB

english, 2010

8

Theoretical modeling of chemical reactions in complex environments: the intramolecular proton transfer in aqueous malonaldehyde

Massimiliano Aschi, Marco D'Abramo, Fabio Ramondo, Isabella Daidone, Maira D'Alessandro, Alfredo Di Nola, Andrea Amadei

Journal:

Journal of Physical Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 201 KB

english, 2006

9

β-Hairpin conformation of fibrillogenic peptides: Structure and α-β transition mechanism revealed by molecular dynamics simulations

Isabella Daidone, Fabio Simona, Danilo Roccatano, Ricardo A. Broglia, Guido Tiana, Giorgio Colombo, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2004

Language:

english

File:

PDF, 576 KB

english, 2004

10

Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amyloid polypeptide in explicit water

Giorgio Colombo, Isabella Daidone, Ehud Gazit, Andrea Amadei, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2005

Language:

english

File:

PDF, 702 KB

english, 2005

11

Thermodynamic and kinetic characterization of a β-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water

Isabella Daidone, Andrea Amadei, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2005

Language:

english

File:

PDF, 662 KB

english, 2005

12

Aggregation of small peptides studied by molecular dynamics simulations

Dagmar Flöck, Giulia Rossetti, Isabella Daidone, Andrea Amadei, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 338 KB

english, 2006

13

Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding–unbinding reaction in Myoglobin

Andrea Amadei, Marco D’Abramo, Isabella Daidone, Maira D’Alessandro, Alfredo Di Nola, Massimiliano Aschi

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 324 KB

english, 2007

14

Modeling quantum vibrational excitations in condensed-phase molecular systems

Andrea Amadei, Isabella Daidone, Laura Zanetti-Polzi, Massimiliano Aschi

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 369 KB

english, 2011

15

Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism

Isabella Daidone, Alessandro Magliano, Alfredo Di Nola, Giuseppina Mignogna, Matilda Manuela Clarkson, Anna Rita Lizzi, Arduino Oratore, Fernando Mazza

Journal:

Year:

2011

Language:

english

File:

PDF, 729 KB

english, 2011

16

The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential

Bortolotti, Carlo Augusto, Amadei, Andrea, Aschi, Massimiliano, Borsari, Marco, Corni, Stefano, Sola, Marco, Daidone, Isabella

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 2.45 MB

english, 2012

17

Essential dynamics: foundation and applications

Isabella Daidone, Andrea Amadei

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2012

Language:

english

File:

PDF, 729 KB

english, 2012

18

Theoretical-computational modelling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations

Andrea Amadei, Isabella Daidone, Alfredo Di Nola, Massimiliano Aschi

Journal:

Current Opinion in Structural Biology

Year:

2010

Language:

english

File:

PDF, 286 KB

english, 2010

19

A general theoretical model for electron transfer reactions in complex systems

Amadei, Andrea, Daidone, Isabella, Aschi, Massimiliano

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1013 KB

english, 2012

20

Investigating the Accessibility of the Closed Domain Conformation of Citrate Synthase using Essential Dynamics Sampling

Isabella Daidone, Danilo Roccatano, Steven Hayward

Journal:

Journal of Molecular Biology

Year:

2004

Language:

english

File:

PDF, 1.12 MB

english, 2004

21

Mechanism of DNA Recognition by the Restriction Enzyme EcoRV

Mai Zahran, Isabella Daidone, Jeremy C. Smith, Petra Imhof

Journal:

Journal of Molecular Biology

Year:

2010

Language:

english

File:

PDF, 2.54 MB

english, 2010

22

Molecular Dynamics Simulation of Protein Folding by Essential Dynamics Sampling: Folding Landscape of Horse Heart Cytochrome c

Daidone, Isabella, Amadei, Andrea, Roccatano, Danilo, Nola, Alfredo Di

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 314 KB

english, 2003

23

Selective Excitation of Native Fluctuations during Thermal Unfolding Simulations: Horse Heart Cytochrome c as a Case Study

Roccatano, Danilo, Daidone, Isabella, Ceruso, Marc-Antoine, Bossa, Cecilia, Nola, Alfredo Di

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 316 KB

english, 2003

24

Structural and dynamical properties of KTS-disintegrins: A comparison between Obtustatin and Lebestatin

Daidone, Isabella, Aschi, Massimiliano, Patamia, Maria, Bozzi, Argante, Petruzzelli, Raffaele

Journal:

Year:

2013

Language:

english

File:

PDF, 731 KB

english, 2013

25

Instantaneous Normal Modes and the Protein Glass Transition

Schulz, Roland, Krishnan, Marimuthu, Daidone, Isabella, Smith, Jeremy C.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 247 KB

english, 2009

26

Molecular Origin of Gerstmann-Sträussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide

Daidone, Isabella, Di Nola, Alfredo, Smith, Jeremy C.

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 930 KB

english, 2011

27

Alteration of Water Structure by Peptide Clusters Revealed by Neutron Scattering in the Small-Angle Region (below 1 Å−1)

Daidone, Isabella, Iacobucci, Claudio, McLain, Sylvia E., Smith, Jeremy C.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 714 KB

english, 2012

28

Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

Bossa, Cecilia, Amadei, Andrea, Daidone, Isabella, Anselmi, Massimiliano, Vallone, Beatrice, Brunori, Maurizio, Di Nola, Alfredo

Journal:

Biophysical Journal

Year:

2005

Language:

english

File:

PDF, 406 KB

english, 2005

29

Subdiffusion in Peptides Originates from the Fractal-Like Structure of Configuration Space

Neusius, Thomas, Daidone, Isabella, Sokolov, Igor M., Smith, Jeremy C.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 366 KB

english, 2008

30

Solvent Electrostriction-Driven Peptide Folding Revealed by Quasi-Gaussian Entropy Theory and Molecular Dynamics Simulation

Noé, Frank, Daidone, Isabella, Smith, Jeremy C., di Nola, Alfredo, Amadei, Andrea

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.65 MB

english, 2008

31

Simulation of the Amide I Infrared Spectrum in Photoinduced Peptide Folding/Unfolding Transitions

Zanetti-Polzi, Laura, Aschi, Massimiliano, Amadei, Andrea, Daidone, Isabella

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 816 KB

english, 2013

32

Toward a Realistic Modeling of the Photophysics of Molecular Building Blocks for Energy Harvesting: The Charge-Transfer State in 4,7-Dithien-2-yl-2,1,3-benzothiadiazole As a Case Study

D’Alessandro, Maira, Amadei, Andrea, Daidone, Isabella, Po’, Riccardo, Alessi, Andrea, Aschi, Massimiliano

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.97 MB

english, 2013

33

Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

Zanetti Polzi, Laura, Daidone, Isabella, Anselmi, Massimiliano, Carchini, Giuliano, Di Nola, Alfredo, Amadei, Andrea

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

34

Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach

Zanetti-Polzi, Laura, Marracino, Paolo, Aschi, Massimiliano, Daidone, Isabella, Fontana, Antonella, Apollonio, Francesca, Liberti, Micaela, D’Inzeo, Guglielmo, Amadei, Andrea

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 421 KB

english, 2013

35

Mechanism of DNA Recognition by EcoRV

Zahran, Mai, Daidone, Isabella, Imhof, Petra, Smith, Jeremy C.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 35 KB

english, 2010

36

Common Folding Mechanism of a Peptide Revealed by Multiple MD Simulations

Thukral, Lipi, Smith, Jeremy C., Daidone, Isabella

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 49 KB

english, 2010

37

On the structural affinity of macromolecules with different biological properties: Molecular dynamics simulations of a series of TEM-1 mutants

Giampaolo, Alessia Di, Mazza, Fernando, Daidone, Isabella, Amicosante, Gianfranco, Perilli, Mariagrazia, Aschi, Massimiliano

Journal:

Biochemical and Biophysical Research Communications

Year:

2013

Language:

english

File:

PDF, 1.14 MB

english, 2013

38

Configurational subdiffusion of peptides: A network study

Neusius, Thomas, Daidone, Isabella, Sokolov, Igor M., Smith, Jeremy C.

Journal:

Physical Review E

Year:

2011

Language:

english

File:

PDF, 359 KB

english, 2011

39

Unambiguous Assignment of Reduction Potentials in Diheme Cytochromes

Daidone, Isabella, Paltrinieri, Licia, Amadei, Andrea, Battistuzzi, Gianantonio, Sola, Marco, Borsari, Marco, Bortolotti, Carlo Augusto

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.30 MB

english, 2014

40

Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution

Piacente, Giovanni, Amadei, Andrea, D'Abramo, Marco, Daidone, Isabella, Aschi, Massimiliano

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.54 MB

english, 2014

41

Surface Packing Determines the Redox Potential Shift of Cytochrome c Adsorbed on Gold

Zanetti-Polzi, Laura, Daidone, Isabella, Bortolotti, Carlo Augusto, Corni, Stefano

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 489 KB

english, 2014

42

How the Reorganization Free Energy Affects the Reduction Potential of Structurally Homologous Cytochromes

Daidone, Isabella, Amadei, Andrea, Zaccanti, Francesco, Borsari, Marco, Bortolotti, Carlo Augusto

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.54 MB

english, 2014

43

New Insight into the IR-Spectra/Structure Relationship in Amyloid Fibrils: A Theoretical Study on a Prion Peptide

Zanetti Polzi, Laura, Amadei, Andrea, Aschi, Massimiliano, Daidone, Isabella

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.89 MB

english, 2011

44

Protein Folding Pathways Revealed by Essential Dynamics Sampling

Narzi, Daniele, Daidone, Isabella, Amadei, Andrea, Di Nola, Alfredo

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 592 KB

english, 2008

45

Common Folding Mechanism of a β-Hairpin Peptide via Non-native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations

Thukral, Lipi, Smith, Jeremy C., Daidone, Isabella

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 1.84 MB

english, 2009

46

Theoretical Characterization of α-Helix and β-Hairpin Folding Kinetics

Daidone, Isabella, D'Abramo, Marco, Di Nola, Alfredo, Amadei, Andrea

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 175 KB

english, 2005

47

A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra

Zanetti Polzi, Laura, Daidone, Isabella, Amadei, Andrea

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 939 KB

english, 2012

48

A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies

Amadei, Andrea, Daidone, Isabella, Bortolotti, Carlo Augusto

Journal:

Year:

2013

Language:

english

File:

PDF, 612 KB

english, 2013

49

Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico

Daidone, Isabella, Thukral, Lipi, Smith, Jeremy C., Amadei, Andrea

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 830 KB

english, 2015

50

Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations

Thukral, Lipi, Daidone, Isabella, Smith, Jeremy C., Dokholyan, Nikolay V.

Journal:

PLoS Computational Biology

Year:

2011

Language:

english

File:

PDF, 2.65 MB

english, 2011