A web-platform interfaced software for spectroscopic molecular characterization and early diagnosis of Parkinson's disease

Project Information

SEMISOFT

Grant agreement ID: 101081361

DOI

10.3030/101081361

Project closed

EC signature date 26 October 2022

Start date 1 November 2022

End date 30 April 2024

Funded under

• European Research Council (ERC)

Total cost

No data

EU contribution

€ 150 000,00

Coordinated by

UNIVERSITA DEGLI STUDI DI MILANO
Italy

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (5)

Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: a molecular tale of two cities

Author(s): Riccardo Conte; Chiara Aieta; Giacomo Botti; Marco Cazzaniga; Michele Gandolfi; Cecilia Lanzi; Giacomo Mandelli; Davide Moscato; Michele Ceotto
Published in: Theoretical Chemistry Accounts, 2023, ISSN 1432-2234
Publisher: Springer
DOI: 10.1007/s00214-023-02993-y

Investigating the Spectroscopy of the Gas Phase Guanine−Cytosine Pair: Keto versus Enol Configurations

Author(s): Giacomo Botti, Michele Ceotto, and Riccardo Conte
Published in: The Journal of Physical Chemistry Letters, 2023, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.3c02073

Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region

Author(s): Barbiero, Davide; Bertaina, Gianluca; Ceotto, Michele; Conte, Riccardo
Published in: Journal of Physical Chemistry A, 2023, ISSN 1520-5215
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.3c02902

Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings

Author(s): Michele Gandolfi and Michele Ceotto
Published in: Journal of Chemical Theory and Computation, 2023, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.3c00553

Unraveling Water Solvation Effects with Quantum Mechanics/ Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine

Author(s): Davide Moscato, Giacomo Mandelli, Mattia Bondanza, Filippo Lipparini, Riccardo Conte, Benedetta Mennucci, and Michele Ceotto
Published in: Journal of the American Chemical Society, 2024, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.3c12700