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Journal of Chemical Theory and Computation|November 26, 2015
Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics SimulationsGerald Mathias, Marcel D BaerFaraday Discussions|June 26, 2013
An ab initio approach to understanding the specific ion effectMarcel D Baer, Christopher J MundyThe Journal of Physical Chemistry. B|January 21, 2016
Local Aqueous Solvation Structure Around Ca(2+) During Ca(2+)···Cl(-) Pair FormationMarcel D Baer, Christopher J MundyBiophysical Journal|February 25, 2021
Atomistic insight on structure and dynamics of spinach acyl carrier protein with substrate lengthMarcel D Baer, John Shanklin, Simone RaugeiThe Journal of Physical Chemistry. A|December 23, 2021
Protonation of Serine in Gas and Condensed and Microsolvated States in Aqueous SolutionSamantha I Johnson, Marcel D Baer, Simone RaugeiThe Journal of Physical Chemistry. B|February 18, 2016
Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic PolymerMichael D Daily, Marcel D Baer, Christopher J MundyThe Journal of Physical Chemistry. B|July 18, 2023
Development of a Systematic and Extensible Force Field for Peptoids (STEPs)Bradley S Harris, Karteek K Bejagam, Marcel D BaerThe Journal of Chemical Physics|June 17, 2018
Understanding the scale of the single ion free energy: A critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumptionTimothy T Duignan, Marcel D Baer, Christopher J MundyThe Journal of Physical Chemistry Letters|May 1, 2025
The Properties That Allow Tuning the Reduction Potentials over a Volt Range in Biological Iron/Sulfur ClustersBusra Dereli, Marcel D Baer, John W Peters, et al.Biomacromolecules|February 15, 2018
Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics InvestigationArushi Prakash, Marcel D Baer, Christopher J Mundy, et al.Pageof 8