1 |
Quantum Suppression of Intramolecular Deuterium Kinetic Isotope Effects in a Pericyclic Hydrogen Transfer Reaction Li X, York DM, Meyer MP Journal of Physical Chemistry A, 123(17), 3647, 2019 |
2 |
Framework for Conducting and Analyzing Crystal Simulations of Nucleic Acids to Aid in Modern Force Field Evaluation Ekesan S, York DM Journal of Physical Chemistry B, 123(22), 4611, 2019 |
3 |
Predicting Site-Binding Modes of Ions and Water to Nucleic Acids Using Molecular Solvation Theory Giambasu GM, Case DA, York DM Journal of the American Chemical Society, 141(6), 2435, 2019 |
4 |
Ribozyme Catalysis with a Twist: Active State of the Twister Ribozyme in Solution Predicted from Molecular Simulation Gaines CS, York DM Journal of the American Chemical Society, 138(9), 3058, 2016 |
5 |
Force Field for Mg2+, Mn2+, Zn2+, and Cd2+ Ions That Have Balanced Interactions with Nucleic Acids Panteva MT, Giambasu GM, York DM Journal of Physical Chemistry B, 119(50), 15460, 2015 |
6 |
Cation-Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting Gebala M, Giambasu GM, Lipfert J, Bisaria N, Bonilla S, Li GC, York DM, Herschlag D Journal of the American Chemical Society, 137(46), 14705, 2015 |
7 |
Evidence for the Role of Active Site Residues in the Hairpin Ribozyme from Molecular Simulations along the Reaction Path Heldenbrand H, Janowski PA, Giambasu G, Giese TJ, Wedekind JE, York DM Journal of the American Chemical Society, 136(22), 7789, 2014 |
8 |
Molecular Simulations of RNA 2'-O-Transesterification Reaction Models in Solution Radak BK, Harris ME, York DM Journal of Physical Chemistry B, 117(1), 94, 2013 |
9 |
Extended Polarization in Third-Order SCC-DFTB from Chemical-Potential Equalization Kaminski S, Giese TJ, Gaus M, York DM, Elstner M Journal of Physical Chemistry A, 116(36), 9131, 2012 |
10 |
Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A-CpA and Transition State-like Complexes Formoso E, Matxain JM, Lopez X, York DM Journal of Physical Chemistry B, 114(21), 7371, 2010 |