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Journal of Chemical Theory and Computation|November 24, 2015
Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite SwappingNuria Plattner, J D Doll, Markus MeuwlyChemical Communications (Cambridge, England)|July 5, 2003
The origin of the low-spin character of the resting state of cytochrome P450cam investigated by means of active site analoguesMartin Lochner, Markus Meuwly, Wolf D WoggonJournal of Chemical Theory and Computation|September 12, 2025
Roadmap to CCSD(T)-Quality Machine-Learned Potentials for Condensed Phase SimulationsEric D Boittier, Silvan Käser, Markus MeuwlyBiochimica Et Biophysica Acta|September 17, 2014
Coupled protein-ligand dynamics in truncated hemoglobin N from atomistic simulations and transition networksPierre-André Cazade, Ganna Berezovska, Markus MeuwlyJournal of Chemical Theory and Computation|November 27, 2015
Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans InfluenceIvan Tubert-Brohman, Maurus Schmid, Markus MeuwlyAngewandte Chemie (International Ed. in English)|July 14, 2016
Structural Interpretation of Metastable States in Myoglobin-NOMaksym Soloviov, Akshaya K Das, Markus MeuwlyThe Journal of Chemical Physics|November 4, 2017
Minimal distributed charges: Multipolar quality at the cost of point charge electrostaticsOliver T Unke, Mike Devereux, Markus MeuwlyPlos Computational Biology|March 31, 2017
Migration of small ligands in globins: Xe diffusion in truncated hemoglobin NPolydefkis Diamantis, Oliver T Unke, Markus MeuwlyThe Journal of Physical Chemistry. B|March 5, 2019
Vibrational Spectroscopy of N3- in the Gas and Condensed PhaseSeyedeh Maryam Salehi, Debasish Koner, Markus MeuwlyThe Journal of Chemical Physics|February 24, 2019
Sampling reactive regions in phase space by following the minimum dynamic pathOliver T Unke, Sebastian Brickel, Markus MeuwlyPageof 34