Academic Bibliography

Search 200 years of publications by Ghent University researchers.

prof. dr. ir. An Ghysels

Faculty of Engineering and Architecture > Department of Electronics and information systems

Work address: C. Heymanslaan 10, ingang 36 - verdieping 5
9000 Gent
Email: An.Ghysels@UGent.be
ORCID iD: 0000-0003-0015-2605

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- Journal Article
- A1
- open access
Permeability of membranes in the liquid ordered and liquid disordered phases

An Ghysels (UGent) , Andreas Krämer, Richard M. Venable, Walter E. Teague, Edward Lyman, Klaus Gawrisch and Richard W. Pastor

(2019) NATURE COMMUNICATIONS. 10.
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Effect of chain unsaturation and temperature on oxygen diffusion through lipid membranes from simulations

Oriana De Vos (UGent) , Tanja Van Hecke (UGent) and An Ghysels (UGent)

(2018) ADVANCES IN EXPERIMENTAL MEDICINE AND BIOLOGY. 1072. p.399-404
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- Journal Article
- A1
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Membrane permeability: characteristic times and lengths for oxygen, and a simulation-based test of the inhomogeneous solubility-diffusion model

Oriana De Vos (UGent) , Richard Venable, Tanja Van Hecke (UGent) , Gerhard Hummer, Richard Pastor and An Ghysels (UGent)

(2018) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 14(7). p.3811-3824
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The importance of cell shape sampling to accurately predict flexibility in metal-organic frameworks

Sven Rogge (UGent) , Senne Caroes (UGent) , Ruben Demuynck (UGent) , Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) and An Ghysels (UGent)

(2018) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 14(3). p.1186-1197
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Position-dependent diffusion tensors in anisotropic media from simulation : oxygen transport in and through membranes

An Ghysels (UGent) , Richard M Venable, Richard W Pastor and Gerhard Hummer

(2017) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 13(6). p.2962-2976
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- Miscellaneous
Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites”

An Ghysels (UGent) , Samuel Moors (UGent) , Karen Hemelsoet (UGent) , Kristof De Wispelaere (UGent) , Michel Waroquier (UGent) , German Sastre and Veronique Van Speybroeck (UGent)

(2017) JOURNAL OF PHYSICAL CHEMISTRY C. 121(10). p.5854-5854
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Discovery of mycobacterium tuberculosis InhA inhibitors by binding sites comparison and ligands prediction

Tanja Štular, Samo Lešnik, Kaja Rožman, Julia Schink, Mitja Zdouc, An Ghysels (UGent) , Feng Liu, Courtney C Aldrich, V Joachim Haupt, Sebastian Salentin, et al.

(2016) JOURNAL OF MEDICINAL CHEMISTRY. 59(24). p.11069-11078
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Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks

Matthias Vandichel (UGent) , Julianna Hajek (UGent) , An Ghysels (UGent) , Arthur De Vos (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2016) CRYSTENGCOMM. 18(37). p.7056-7069
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- Journal Article
- A1
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A comparison of barostats for the mechanical characterization of metal-organic frameworks

Sven Rogge (UGent) , Louis Vanduyfhuys (UGent) , An Ghysels (UGent) , Michel Waroquier (UGent) , Toon Verstraelen (UGent) , G Maurin and Veronique Van Speybroeck (UGent)

(2015) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 11(12). p.5583-5597
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- Journal Article
- A1
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Semi-analytical mean-field model for predicting breathing in metal–organic frameworks

Louis Vanduyfhuys (UGent) , An Ghysels (UGent) , Sven Rogge (UGent) , Ruben Demuynck (UGent) and Veronique Van Speybroeck (UGent)

(2015) MOLECULAR SIMULATION. 41(16-17). p.1311-1328

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