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Journal of Chemical Information and Modeling|December 4, 2015
Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14Maria Pechlaner, Chris OostenbrinkMetal Ions in Life Sciences|January 3, 2012
Characterization of metal ion-nucleic acid interactions in solutionMaria Pechlaner, Roland K O SigelThe Journal of Chemical Physics|January 17, 2020
Algorithms to apply dihedral-angle constraints in molecular or stochastic dynamics simulationsMaria Pechlaner, Wilfred F van GunsterenProteins|September 27, 2021
On the use of intra-molecular distance and angle constraints to lengthen the time step in molecular and stochastic dynamics simulations of proteinsMaria Pechlaner, Wilfred F van GunsterenJournal of Computational Chemistry|May 5, 2021
On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteinsMaria Pechlaner, Chris Oostenbrink, Wilfred F van GunsterenAngewandte Chemie (International Ed. in English)|June 30, 2015
Protonation-Dependent Base Flipping at Neutral pH in the Catalytic Triad of a Self-Splicing Bacterial Group II IntronMaria Pechlaner, Daniela Donghi, Veronika Zelenay, et al.Journal of Chemical Theory and Computation|December 22, 2017
Saturation Mutagenesis by Efficient Free-Energy CalculationZuzana Jandova, Daniel Fast, Martina Setz, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|February 17, 2016
Studying metal ion binding properties of a three-way junction RNA by heteronuclear NMRSimona Bartova, Maria Pechlaner, Daniela Donghi, et al.European Biophysics Journal : EBJ|March 18, 2022
Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozymeMaria Pechlaner, Wilfred F van Gunsteren, Niels Hansen, et al.The Journal of Physical Chemistry. B|March 13, 2025
Molecular Structure Refinement of a ß-Heptapeptide Based on Residual Dipolar Couplings: The Challenge of Extracting Structural Information from Measured RDCsMaria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith, et al.Pageof 3