검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Exploring pH Dependent Host/Guest Binding Affinities Paul TJ, Vilseck JZ, Hayes RL, Brooks CL Journal of Physical Chemistry B, 124(30), 6520, 2020 |
| 2 |
Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor Qian Y, de Vaca IC, Vilseck JZ, Cole DJ, Tirado-Rives J, Jorgensen WL Journal of Physical Chemistry B, 123(41), 8675, 2019 |
| 3 |
Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite lambda Dynamics Hayes RL, Armacost KA, Vilseck JZ, Brooks CL Journal of Physical Chemistry B, 121(15), 3626, 2017 |
| 4 |
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations Dodda LS, Vilseck JZ, Tirado-Rives J, Jorgensen WL Journal of Physical Chemistry B, 121(15), 3864, 2017 |