IR Spectroscopy: From Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning.
Saved in:
| Title: | IR Spectroscopy: From Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning. |
|---|---|
| Authors: | Scherlo M; Center for Protein Diagnostics (PRODI), Biospectroscopy, Ruhr University Bochum, Bochum 44801, Germany.; Biomolecular Simulations and Theoretical Biophysics Group, Faculty of Biology and Biotechnology, Ruhr University Bochum, Bochum 44801, Germany., Phillips D; School of Informatics and Maxwell Institute for the Mathematical Sciences, University of Edinburgh, Edinburgh EH8 9BT, U.K., Künne R; Center for Protein Diagnostics (PRODI), Biospectroscopy, Ruhr University Bochum, Bochum 44801, Germany.; Department of Biophysics, Ruhr University Bochum, Bochum 44801, Germany., Ippoliti E; Computational Biomedicine, Institute for Neuroscience and Medicine inm-9, Forschungszentrum Jülich GmbH, Jülich 52428, Germany., Gerwert K; Center for Protein Diagnostics (PRODI), Biospectroscopy, Ruhr University Bochum, Bochum 44801, Germany.; Department of Biophysics, Ruhr University Bochum, Bochum 44801, Germany., Kötting C; Center for Protein Diagnostics (PRODI), Biospectroscopy, Ruhr University Bochum, Bochum 44801, Germany.; Department of Biophysics, Ruhr University Bochum, Bochum 44801, Germany., Carloni P; Computational Biomedicine, Institute for Neuroscience and Medicine inm-9, Forschungszentrum Jülich GmbH, Jülich 52428, Germany., Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K., Rudack T; Biomolecular Simulations and Theoretical Biophysics Group, Faculty of Biology and Biotechnology, Ruhr University Bochum, Bochum 44801, Germany.; Structural Bioinformatics Group, Regensburg Center for Ultrafast Nanoscopy, University of Regensburg, Regensburg 93053, Germany.; Structural Bioinformatics Group, Regensburg Center for Biochemistry, University of Regensburg, Regensburg 93053, Germany. |
| Source: | The journal of physical chemistry. B [J Phys Chem B] 2025 Nov 13; Vol. 129 (45), pp. 11652-11665. Date of Electronic Publication: 2025 Oct 29. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
Be the first to leave a comment!
