Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Search Results
7 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
Molecular Simulations and Mechanistic Analysis of the Effect of CO2 Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene.
Macromolecules. 2020 May 26;53(10):3669-3689. doi: 10.1021/acs.macromol.0c00323. Epub 2020 May 11.
Macromolecules. 2020.
PMID: 33828339
Free PMC article.
Coarse graining using pretabulated potentials: liquid benzene.
Zacharopoulos N, Vergadou N, Theodorou DN.
Zacharopoulos N, et al. Among authors: vergadou n.
J Chem Phys. 2005 Jun 22;122(24):244111. doi: 10.1063/1.1948370.
J Chem Phys. 2005.
PMID: 16035750
Item in Clipboard
Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers.
Vergadou N, Theodorou DN.
Vergadou N, et al.
Membranes (Basel). 2019 Aug 8;9(8):98. doi: 10.3390/membranes9080098.
Membranes (Basel). 2019.
PMID: 31398889
Free PMC article.
Review.
Item in Clipboard
Integrating Machine Learning in the Coarse-Grained Molecular Simulation of Polymers.
Ricci E, Vergadou N.
Ricci E, et al. Among authors: vergadou n.
J Phys Chem B. 2023 Mar 23;127(11):2302-2322. doi: 10.1021/acs.jpcb.2c06354. Epub 2023 Mar 8.
J Phys Chem B. 2023.
PMID: 36888553
Review.
Item in Clipboard
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field.
Vergadou N, Androulaki E, Hill JR, Economou IG.
Vergadou N, et al.
Phys Chem Chem Phys. 2016 Mar 7;18(9):6850-60. doi: 10.1039/c5cp05892a. Epub 2016 Feb 15.
Phys Chem Chem Phys. 2016.
PMID: 26878611
Item in Clipboard
Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation.
Zubeir LF, Rocha MA, Vergadou N, Weggemans WM, Peristeras LD, Schulz PS, Economou IG, Kroon MC.
Zubeir LF, et al. Among authors: vergadou n.
Phys Chem Chem Phys. 2016 Aug 17;18(33):23121-38. doi: 10.1039/c6cp01943a.
Phys Chem Chem Phys. 2016.
PMID: 27492890
Item in Clipboard
Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays.
Tzoupis H, Leonis G, Avramopoulos A, Reis H, Czyżnikowska Ż, Zerva S, Vergadou N, Peristeras LD, Papavasileiou KD, Alexis MN, Mavromoustakos T, Papadopoulos MG.
Tzoupis H, et al. Among authors: vergadou n.
J Mol Graph Model. 2015 Nov;62:138-149. doi: 10.1016/j.jmgm.2015.09.015. Epub 2015 Sep 25.
J Mol Graph Model. 2015.
PMID: 26421414
Item in Clipboard
Cite
Cite