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Journal of Computational Chemistry|August 2, 2025
Enhancing Empirical Energy Functions Using Physics- and Machine Learning-Based Extensions: Structure, Dynamics and Spectroscopy of Modified BenzenesKham Lek Chaton, Markus MeuwlyThe Journal of Physical Chemistry. B|October 25, 2019
Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the BulkZhen-Hao Xu, Markus MeuwlyThe Journal of Physical Chemistry. B|July 31, 2012
Dynamics of water/methanol mixtures at functionalized chromatographic interfacesPrashant Kumar Gupta, Markus MeuwlyPhysical Chemistry Chemical Physics : PCCP|October 31, 2013
Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fieldsMyung Won Lee, Markus MeuwlyMolecules (Basel, Switzerland)|February 15, 2022
Cross-Correlated Motions in AzidolysozymeSeyedeh Maryam Salehi, Markus MeuwlyThe Journal of Chemical Physics|March 16, 2022
Site-selective dynamics of ligand-free and ligand-bound azidolysozymeSeyedeh Maryam Salehi, Markus MeuwlyChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 8, 2004
Ligand dynamics in myoglobin: calculation of infrared spectra for photodissociated NODavid R Nutt, Markus MeuwlyChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 20, 2012
Oxygen migration pathways in NO-bound truncated hemoglobinPierre-André Cazade, Markus MeuwlyJournal of Chemical Information and Modeling|July 2, 2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy SurfacesOliver T Unke, Markus MeuwlyAngewandte Chemie (International Ed. in English)|January 23, 2018
Kinetic Analysis and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin NAkshaya Kumar Das, Markus MeuwlyPageof 41