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The last 5 uploaded publications
Development and Testing of the OPLS-AA/M Force Field for RNA
Michael J. Robertson, Yue Qian, Matthew C. Robinson, Julian Tirado‐Rives, William L. Jorgensen (2019). Development and Testing of the OPLS-AA/M Force Field for RNA. Journal of Chemical Theory and Computation, 15(4), pp. 2734-2742, DOI: 10.1021/acs.jctc.9b00054.
Article357 days agoEnhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
Israel Cabeza de Vaca, Yue Qian, Jonah Z. Vilseck, Julian Tirado‐Rives, William L. Jorgensen (2018). Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding. Journal of Chemical Theory and Computation, 14(6), pp. 3279-3288, DOI: 10.1021/acs.jctc.8b00031.
Article357 days agoAbsolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
Yue Qian, Israel Cabeza de Vaca, Jonah Z. Vilseck, D. J. A. Cole, Julian Tirado‐Rives, William L. Jorgensen (2019). Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor. The Journal of Physical Chemistry B, 123(41), pp. 8675-8685, DOI: 10.1021/acs.jpcb.9b07588.
Article357 days agoAbsolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
Yue Qian, Israel Cabeza de Vaca, Jonah Z. Vilseck, D. J. A. Cole, Julian Tirado‐Rives, William L. Jorgensen (2019). Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike InhibitorAbsolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor. Author eBooks,
Chapter in a book357 days agoAbsolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
Yue Qian, Israel Cabeza de Vaca, Jonah Z. Vilseck, D. J. A. Cole, Julian Tirado‐Rives, William L. Jorgensen (2019). Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
Chapter in a book283 days ago