화학공학소재연구정보센터
검색결과 : 39건
No. Article
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