| 1 |
Computational Assessment of Potassium and Magnesium Ion Binding to a Buried Pocket in GTPase-Associating Center RNA
Hayatshahi HS, Roe DR, Galindo-Murillo R, Hall KB, Cheatham TE
Journal of Physical Chemistry B, 121(3), 451, 2017 |
| 2 |
Evaluation of Enhanced Sampling Provided by Accelerated Molecular Dynamics with Hamiltonian Replica Exchange Methods
Roe DR, Bergonzo C, Cheatham TE
Journal of Physical Chemistry B, 118(13), 3543, 2014 |
| 3 |
Self-Tensioning Aquatic Caddisfly Silk: Ca2+-Dependent Structure, Strength, and Load Cycle Hysteresis
Ashton NN, Roe DR, Weiss RB, Cheatham TE, Stewart RJ
Biomacromolecules, 14(10), 3668, 2013 |
| 4 |
Reliable Oligonucleotide Conformational Ensemble Generation in Explicit Solvent for Force Field Assessment Using Reservoir Replica Exchange Molecular Dynamics Simulations
Henriksen NM, Roe DR, Cheatham TE
Journal of Physical Chemistry B, 117(15), 4014, 2013 |
| 5 |
Structural Basis of Pathway-Dependent Force Profiles in Stretched DNA
Roe DR, Chaka AM
Journal of Physical Chemistry B, 113(46), 15364, 2009 |
| 6 |
Secondary structure bias in generalized born solvent models: Comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvation
Roe DR, Okur A, Wickstrom L, Hornak V, Simmerling C
Journal of Physical Chemistry B, 111(7), 1846, 2007 |
