| Cold‐Ion Spectroscopy Reveals the Intrinsic Structure of a Decapeptide NS Nagornova, M Guglielmi, M Doemer, I Tavernelli, U Rothlisberger, ... Angewandte Chemie International Edition 50 (23), 5383-5386, 2011 | 76 | 2011 |
| In situ parameterisation of SCC-DFTB repulsive potentials by iterative Boltzmann inversion M Doemer, E Liberatore, JM Knaup, I Tavernelli, U Rothlisberger Molecular Physics 111 (22-23), 3595-3607, 2013 | 45 | 2013 |
| Generalized QM/MM force matching approach applied to the 11-cis protonated Schiff base chromophore of rhodopsin M Doemer, P Maurer, P Campomanes, I Tavernelli, U Rothlisberger Journal of chemical theory and computation 10 (1), 412-422, 2014 | 33 | 2014 |
| Intricacies of describing weak interactions involving halogen atoms within density functional theory M Doemer, I Tavernelli, U Rothlisberger Journal of chemical theory and computation 9 (2), 955-964, 2013 | 32 | 2013 |
| Pushing the frontiers of first-principles based computer simulations of chemical and biological systems E Brunk, I Tavernelli, S Vanni, TJ Penfold, G Palermo, M Neri, ... Chimia 65 (9), 667-671, 2011 | 29 | 2011 |
| Assessing the performance of computational methods for the prediction of the ground state structure of a cyclic decapeptide M Doemer, M Guglielmi, P Athri, NS Nagornova, TR Rizzo, OV Boyarkin, ... International Journal of Quantum Chemistry 113 (6), 808-814, 2013 | 20 | 2013 |
| Solvent rearrangements during the transition from hydrophilic to hydrophobic solvation TJ Penfold, I Tavernelli, M Doemer, R Abela, U Röthlisberger, M Chergui Chemical Physics 410, 25-30, 2013 | 11 | 2013 |
| Photodynamics of Lys+-Trp protein motifs: Hydrogen bonds ensure photostability M Guglielmi, M Doemer, I Tavernelli, U Rothlisberger Faraday discussions 163, 189-203, 2013 | 10 | 2013 |
| Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy A Zviagin, R Yamaletdinov, N Nagornova, M Domer, OV Boyarkin The Journal of Physical Chemistry Letters 14 (26), 6037-6042, 2023 | 7 | 2023 |
| Kalte Ionenspektroskopie zur Lösung der Gasphasenstruktur eines Decapeptids NS Nagornova, M Guglielmi, M Doemer, I Tavernelli, U Rothlisberger, ... Angewandte Chemie 123 (23), 5495-5498, 2011 | 6 | 2011 |
| Is it ops that make data science scientific? M Doemer, D Kempf Archives of Data Science, Series A 8 (2), 1-17, 2023 | 2 | 2023 |
| Tetraedrisch, wenn flüssig M Dömer, T Spura, RZ Khaliullin, TD Kühne Nachrichten aus der Chemie 61 (12), 1203-1206, 2013 | 2 | 2013 |
| Tetrahedral, when in fluid state M Domer, T Spura, RZ Khaliullin, TD Kuhne Nachrichten aus der Chemie 61 (12), 1203-1206, 2013 | 1 | 2013 |
| Approaches to Increase the Accuracy of Molecular Dynamics Simulations: From Classical to Tight Binding and First Principles Methods M DöMER ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE, 2013 | | 2013 |
| Tetrahedral if liquid M Dömer, RZ Khaliullin, T Spura, TD Kühne Nachrichten aus der Chemie 61 (12), 1203-1206, 2013 | | 2013 |
| Is It Ops That Make Data Science Scientific? Manuel Doemer and David Kempf Abstract The primary challenge of data science as a new paradigm of scientific discovery is the … M Doemer | | |
| QM/MM Force Matching in CPMD M Dömer, P Maurer, I Tavernelli, U Röthlisberger | | |
