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The Journal of Chemical Physics|August 8, 2016
Accelerated path integral methods for atomistic simulations at ultra-low temperaturesFelix Uhl, Dominik Marx, Michele CeriottiPlos One|December 19, 2017
Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphateTeresa Milano, Adnan Gulzar, Daniele Narzi, et al.The Journal of Physical Chemistry Letters|February 2, 2019
Restricting Solvation to Two Dimensions: Soft Landing of Microsolvated Ions on Inert SurfacesJános Daru, Prashant Kumar Gupta, Dominik MarxInorganic Chemistry|April 28, 2011
Water exchange of a ProHance MRI contrast agent: isomer-dependent free-energy landscapes and mechanismsRodolphe Pollet, Nisanth N Nair, Dominik MarxJournal of Chemical Theory and Computation|November 18, 2015
Adaptive switching of interaction potentials in the time domain: an extended Lagrangian approach tailored to transmute force field to QM/MM simulations and backMarcus Böckmann, Nikos L Doltsinis, Dominik MarxPhysical Review Letters|October 13, 2007
Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functionsAmalendu Chandra, Mark E Tuckerman, Dominik MarxJournal of the American Chemical Society|September 4, 2009
Peptide synthesis in aqueous environments: the role of extreme conditions on peptide bond formation and peptide hydrolysisEduard Schreiner, Nisanth N Nair, Dominik MarxJournal of the American Chemical Society|July 29, 2010
Mechanochemical transduction of externally applied forces to mechanophoresJordi Ribas-Arino, Motoyuki Shiga, Dominik MarxPhysical Chemistry Chemical Physics : PCCP|May 14, 2013
Theoretical spectroscopy using molecular dynamics: theory and application to CH5(+) and its isotopologuesSergei D Ivanov, Alexander Witt, Dominik MarxAngewandte Chemie (International Ed. in English)|May 1, 2009
Understanding covalent mechanochemistryJordi Ribas-Arino, Motoyuki Shiga, Dominik MarxPageof 23