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Faraday Discussions|October 11, 2014
Diffusion of atomic oxygen relevant to water formation in amorphous interstellar icesMyung Won Lee, Markus MeuwlyThe Journal of Physical Chemistry. B|August 29, 2017
Hydration Control Through Intramolecular Degrees of Freedom: Molecular Dynamics of [Cu(II)(Imidazole)4]Akshaya K Das, Markus MeuwlyThe Journal of Physical Chemistry. B|March 16, 2021
Spectroscopy, Dynamics, and Hydration of S-Nitrosylated MyoglobinHaydar Taylan Turan, Markus MeuwlyJournal of Chemical Theory and Computation|April 23, 2026
Efficient and Equivariant Prediction of Distributed Charges for Accurate Molecular ElectrostaticsEric D Boittier, Markus MeuwlyStructural Dynamics (Melville, N.Y.)|March 10, 2016
Ligand and interfacial dynamics in a homodimeric hemoglobinPrashant Kumar Gupta, Markus MeuwlyThe Journal of Chemical Physics|May 4, 2021
Site-selective dynamics of azidolysozymeSeyedeh Maryam Salehi, Markus MeuwlyJournal of Chemical Theory and Computation|May 3, 2019
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial ChargesOliver T Unke, Markus MeuwlyThe Journal of Physical Chemistry. B|March 17, 2012
Molecular dynamics simulation of nitric oxide in myoglobinMyung Won Lee, Markus MeuwlyProceedings of the National Academy of Sciences of the United States of America|April 7, 2004
CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein functionDavid R Nutt, Markus MeuwlyThe Journal of Chemical Physics|June 25, 2010
Finite-temperature quantum simulations of mixed rare gas clustersMarkus Meuwly, J D DollPageof 34