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32100081 | Imaging of the Silicone Implant with a 3D SPACE MR Sequence: The Accuracy for Estimating Implant Volume and Reconstructing Implant Deformation in Breast Surgery. | 2021 Feb |
1 |
| 2 |
31881497 | Degradation and transformation of bisphenol A in UV/Sodium percarbonate: Dual role of carbonate radical anion. | 2020 Mar 15 |
1 |
| 3 |
32150682 | Modeling Intermolecular and Intramolecular Modes of Liquid Water Using Multiple Heat Baths: Machine Learning Approach. | 2020 Apr 14 |
1 |
| 4 |
32186376 | Dynamic Susceptibility and Structural Heterogeneity of Large Reverse Micellar Water: An Examination of the Core-Shell Model via Probing the Layer-wise Features. | 2020 Apr 9 |
1 |
| 5 |
30693356 | Second inflection point of water surface tension in the deeply supercooled regime revealed by entropy anomaly and surface structure using molecular dynamics simulations. | 2019 Feb 6 |
2 |
| 6 |
31255064 | Comparing the performance of two structural indicators for different water models while seeking for connections between structure and dynamics in the glassy regime. | 2019 Jun 28 |
1 |
| 7 |
29321556 | The Water-Alkane Interface at Various NaCl Salt Concentrations: A Molecular Dynamics Study of the Readily Available Force Fields. | 2018 Jan 10 |
2 |
| 8 |
30111129 | All-atom computations with irreversible Markov chains. | 2018 Aug 14 |
1 |
| 9 |
30195309 | Finite-size corrections in numerical simulation of liquid water. | 2018 Sep 7 |
1 |
| 10 |
30226923 | Why different water models predict different structures under 2D confinement. | 2018 Sep 30 |
1 |
| 11 |
30553262 | Calculation of the water-octanol partition coefficient of cholesterol for SPC, TIP3P, and TIP4P water. | 2018 Dec 14 |
1 |
| 12 |
28125062 | Effect of Sodium and Chloride Binding on a Lecithin Bilayer. A Molecular Dynamics Study. | 2017 Jan 25 |
1 |
| 13 |
28178789 | Corresponding-states behavior of SPC/E-based modified (bent and hybrid) water models. | 2017 Feb 7 |
3 |
| 14 |
28201892 | Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential. | 2017 Feb 14 |
3 |
| 15 |
28249415 | Revisiting the hydration structure of aqueous Na. | 2017 Feb 28 |
1 |
| 16 |
28330341 | Wetting at the nanoscale: A molecular dynamics study. | 2017 Mar 21 |
1 |
| 17 |
28432304 | Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures. | 2017 Apr 21 |
1 |
| 18 |
28498675 | Explicit Solvent Hydration Benchmark for Proteins with Application to the PBSA Method. | 2017 Jun 13 |
1 |
| 19 |
28623871 | Simple computing of the viscosity of water-dioxane mixtures, according to a fluctuating SPC/E-Ih interstitial model. | 2017 Aug 15 |
2 |
| 20 |
28734288 | Common behaviors associated with the glass transitions of water-like models. | 2017 Jul 21 |
1 |
| 21 |
28809537 | Confined Water: Structure, Dynamics, and Thermodynamics. | 2017 Sep 19 |
3 |
| 22 |
28830171 | Electrostatic and induction effects in the solubility of water in alkanes. | 2017 Aug 21 |
2 |
| 23 |
29272929 | Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations. | 2017 Dec 21 |
1 |
| 24 |
26674240 | Molecular simulation of the effects of humidity and of interfacial Si- and B-hydroxyls on the adhesion energy between glass plates. | 2016 Mar 1 |
1 |
| 25 |
27118886 | Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics. | 2016 Feb |
1 |
| 26 |
27179490 | Simulated conduction rates of water through a (6,6) carbon nanotube strongly depend on bulk properties of the model employed. | 2016 May 14 |
1 |
| 27 |
27222936 | Pair correlations that link the hydrophobic and Hofmeister effects. | 2016 Jun 1 |
2 |
| 28 |
27397622 | The rich phase behavior of the thermopolarization of water: from a reversal in the polarization, to enhancement near criticality conditions. | 2016 Jul 20 |
2 |
| 29 |
27399642 | Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model. | 2016 Aug 9 |
1 |
| 30 |
27409519 | Adaptive Resolution Simulation of Supramolecular Water: The Concurrent Making, Breaking, and Remaking of Water Bundles. | 2016 Aug 9 |
1 |
| 31 |
27475393 | A canonical replica exchange molecular dynamics implementation with normal pressure in each replica. | 2016 Jul 28 |
1 |
| 32 |
27659807 | Double-Tailed Cystine Derivatives as Novel Substitutes of Phospholipids with Special Reference to Liposomes. | 2016 Oct 20 |
1 |
| 33 |
27673372 | Diffusion in Homogeneous and in Inhomogeneous Media: A New Unified Approach. | 2016 Nov 8 |
2 |
| 34 |
27966071 | Structure and dynamics of high- and low-density water molecules in the liquid and supercooled regimes. | 2016 Dec |
1 |
| 35 |
27984880 | Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice. | 2016 Dec 14 |
1 |
| 36 |
25588773 | Systematic evaluation of bundled SPC water for biomolecular simulations. | 2015 Apr 7 |
13 |
| 37 |
25612721 | Effect of the hydroaffinity and topology of pore walls on the structure and dynamics of confined water. | 2015 Jan 21 |
1 |
| 38 |
25736394 | Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg(2+) ion models commonly used in biomolecular simulations. | 2015 May 15 |
1 |
| 39 |
25752635 | Harmful algal bloom removal and eutrophic water remediation by commercial nontoxic polyamine-co-polymeric ferric sulfate-modified soils. | 2015 Jul |
1 |
| 40 |
26115405 | Thermodynamic Functions of Solvation of Hydrocarbons, Noble Gases, and Hard Spheres in Tetrahydrofuran-Water Mixtures. | 2015 Jul 16 |
1 |
| 41 |
26233143 | Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations. | 2015 Jul 28 |
1 |
| 42 |
26277145 | Homogeneous SPC/E water nucleation in large molecular dynamics simulations. | 2015 Aug 14 |
1 |
| 43 |
26395714 | The Widom line and dynamical crossover in supercritical water: Popular water models versus experiments. | 2015 Sep 21 |
1 |
| 44 |
26428993 | An enhanced version of the heat exchange algorithm with excellent energy conservation properties. | 2015 Sep 28 |
1 |
| 45 |
26454581 | Effects of Translational and Rotational Degrees of Freedom on the Hydration of Ionic Solutes as Seen by the Popular Water Models. | 2015 |
4 |
| 46 |
24506162 | CO2 diffusion in champagne wines: a molecular dynamics study. | 2014 Feb 20 |
9 |
| 47 |
24571078 | Influence of hydrogen bonding on the structure of the (001) corundum-water interface. Density functional theory calculations and Monte Carlo simulations. | 2014 Mar 18 |
1 |
| 48 |
24620851 | Molecular dynamics simulations of sodium dodecyl sulfate micelles in water-the effect of the force field. | 2014 Apr 10 |
4 |
| 49 |
24712798 | Simulation of high-density water: its glass transition for various water models. | 2014 Apr 7 |
1 |
| 50 |
24832291 | Effects of the translational and rotational degrees of freedom on the hydration of simple solutes. | 2014 May 14 |
1 |