| 1 |
Molecular modelling and quantum mechanical calculations of the hydration free energy of buckminsterfullerene
Luzhkov VB, Volokhov VM, Pokatovich GA
Chemical Physics Letters, 676, 95, 2017 |
| 2 |
Mutations in the KDM5C ARID Domain and Their Plausible Association with Syndromic Claes-Jensen-Type Disease
Peng YH, Suryadi J, Yang Y, Kucukkal TG, Cao WG, Alexov E
International Journal of Molecular Sciences, 16(11), 27270, 2015 |
| 3 |
Structural insights on cholesterol endosynthesis: Binding of squalene and 2,3-oxidosqualene to supernatant protein factor
Christen M, Marcaida MJ, Lamprakis C, Aeschimann W, Vaithilingam J, Schneider P, Hilbert M, Schneider G, Cascella M, Stocker A
Journal of Structural Biology, 190(3), 261, 2015 |
| 4 |
Thermodynamic properties of micellization of Sulfobetaine-type Zwitterionic Gemini Surfactants in aqueous solutions - A free energy perturbation study
Liu GY, Gu DM, Liu HY, Ding W, Luan HX, Lou YM
Journal of Colloid and Interface Science, 375, 148, 2012 |
| 5 |
Enthalpy-entropy compensation of ionic liquid-type Gemini imidazolium surfactants in aqueous solutions: A free energy perturbation study
Liu GY, Gu DM, Liu HY, Ding W, Li Z
Journal of Colloid and Interface Science, 358(2), 521, 2011 |
| 6 |
Free energy methods in molecular simulation
Kofke DA
Fluid Phase Equilibria, 228, 41, 2005 |
| 7 |
Free-energy calculations for fluid and solid phases by molecular simulation
Lu ND, Barnes CD, Kofke DA
Fluid Phase Equilibria, 194, 219, 2002 |
| 8 |
Demixing of binary water-chloroform mixtures containing ionophoric solutes and ion recognition at a liquid-liquid interface: A molecular dynamics study
Muzet N, Engler E, Wipff G
Journal of Physical Chemistry B, 102(52), 10772, 1998 |
| 9 |
Accurate Analytical Expressions of Thermodynamic Properties of Supercritical Lennard-Jones Fluids
Cuadros F, Ahumada W
Thermochimica Acta, 297(1-2), 109, 1997 |
| 10 |
Molecular-Dynamics Simulation of Electrolyte-Solutions in Ambient and Supercritical Water .1. Ion Solvation
Balbuena PB, Johnston KP, Rossky PJ
Journal of Physical Chemistry, 100(7), 2706, 1996 |
