검색결과 : 100건
| No. | Article |
|---|---|
| 1 |
Synthesis, Characterization, and Simulation of Four-Armed Megamolecules Zhou SW, He P, Dhindwal S, Grum-Tokars VL, Li Y, Parker K, Modica JA, Bleher R, Dos Reis R, Zuchniarz J, Dravid VP, Voth GA, Roux B, Mrksich M Biomacromolecules, 22(6), 2363, 2021 |
| 2 |
Molecular Dynamics Simulations Based on Polarizable Models Show that Ion Permeation Interconverts between Different Mechanisms as a Function of Membrane Thickness Chen PR, Vorobyov I, Roux B, Allen TW Journal of Physical Chemistry B, 125(4), 1020, 2021 |
| 3 |
Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry B Jungwirth P, Maginn EJ, Roux B, Schmid F, Shea JE Journal of Physical Chemistry B, 124(25), 5093, 2020 |
| 4 |
Continuum Electrostatic Behavior of a 3D-RISM Theory Roux B Journal of Physical Chemistry B, 124(34), 7444, 2020 |
| 5 |
Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields Bedrov D, Piquemal JP, Borodin O, MacKerell AD, Roux B, Schroder C Chemical Reviews, 119(13), 7940, 2019 |
| 6 |
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg2+ (vol 122, pg 6147, 2018) Villa F, MacKerell AD, Roux B, Simonson T Journal of Physical Chemistry A, 123(2), 629, 2019 |
| 7 |
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg2+ Villa F, MacKerell AD, Roux B, Simonson T Journal of Physical Chemistry A, 122(29), 6147, 2018 |
| 8 |
Graph-Theoretic Analysis of Monomethyl Phosphate Clustering in Ionic Solutions Han K, Venable RM, Bryant AM, Legacy CJ, Shen R, Li H, Roux B, Gericke A, Pastor RW Journal of Physical Chemistry B, 122(4), 1484, 2018 |
| 9 |
Molecular Dynamics of Ion Conduction through the Selectivity Filter of the Na(V)Ab Sodium Channel Callahan KM, Roux B Journal of Physical Chemistry B, 122(44), 10126, 2018 |
| 10 |
Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis Jiang W, Thirman J, Jo S, Roux B Journal of Physical Chemistry B, 122(41), 9435, 2018 |