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Structure (London, England : 1993)|September 1, 2023
Efficient and accurate calculation of proline cis/trans isomerization free energies from Hamiltonian replica exchange molecular dynamics simulationsMaximilian Kienlein, Martin Zacharias, Maria M Reif
Journal of Chemical Theory and Computation|March 11, 2024
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD SimulationsMaximilian Kienlein, Martin Zacharias, Maria M Reif
Protein Science : a Publication of the Protein Society|October 18, 2020
Ligand binding and global adaptation of the GlnPQ substrate binding domain 2 revealed by molecular dynamics simulationsMaximilian Kienlein, Martin Zacharias
Protein Science : a Publication of the Protein Society|June 18, 2024
How arginine inhibits substrate-binding domain 2 elucidated using molecular dynamics simulationsMaximilian Kienlein, Martin Zacharias
Journal of Chemical Theory and Computation|June 2, 2022
Improving the Potential of Mean Force and Nonequilibrium Pulling Simulations by Simultaneous Alchemical ModificationsMaria M Reif, Martin Zacharias
Journal of Computational Chemistry|May 18, 2016
Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromoleculesMaria M Reif, Martin Zacharias
Methods in Molecular Biology (Clifton, N.J.)|December 10, 2021
Computational Tools for Accurate Binding Free-Energy PredictionMaria M Reif, Martin Zacharias
Journal of Molecular Biology|October 20, 2018
The N-Terminal Segment of the Voltage-Dependent Anion Channel: A Possible Membrane-Bound Intermediate in Pore UnbindingMaria M Reif, Moritz Fischer, Kai Fredriksson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 29, 2021
Molecular and Spectroscopic Characterization of Green and Red Cyanine Fluorophores from the Alexa Fluor and AF Series*Christian Gebhardt, Martin Lehmann, Maria M Reif, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 5, 2021
Molecular and Spectroscopic Characterization of Green and Red Cyanine Fluorophores from the Alexa Fluor and AF SeriesChristian Gebhardt, Martin Lehmann, Maria M Reif, et al.
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