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Journal of Chemical Theory and Computation|February 8, 2014
Roadmaps through free energy landscapes calculated using the multi-dimensional vFEP approachTai-Sung Lee, Brian K Radak, Ming Huang, et al.Progress in Molecular Biology and Translational Science|October 26, 2013
Bridging the gap between theory and experiment to derive a detailed understanding of hammerhead ribozyme catalysisTai-Sung Lee, Kin-Yiu Wong, George M Giambasu, et al.Journal of Chemical Theory and Computation|March 5, 2013
A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular SimulationsTai-Sung Lee, Brian K Radak, Anna Pabis, et al.RNA (New York, N.Y.)|July 15, 2015
Assessment of metal-assisted nucleophile activation in the hepatitis delta virus ribozyme from molecular simulation and 3D-RISMBrian K Radak, Tai-Sung Lee, Michael E Harris, et al.ACS Catalysis|October 25, 2016
A Two-Metal-Ion-Mediated Conformational Switching Pathway for HDV Ribozyme ActivationTai-Sung Lee, Brian K Radak, Michael E Harris, et al.Journal of Chemical Theory and Computation|November 28, 2012
Exact Relation between Potential of Mean Force and Free-Energy ProfileKin-Yiu Wong, Darrin M YorkJournal of Chemical Theory and Computation|August 3, 2017
A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM SimulationsMing Huang, Thakshila Dissanayake, Erich Kuechler, et al.Journal of Computational Chemistry|May 21, 2014
Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation modelsKin-Yiu Wong, Yuqing Xu, Darrin M YorkJournal of Chemical Theory and Computation|November 19, 2015
Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulationsBrian K Radak, Melissa Romanus, Tai-Sung Lee, et al.Journal of Chemical Theory and Computation|May 8, 2014
Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum MethodsMing Huang, Timothy J Giese, Tai-Sung Lee, et al.Pageof 435