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

ORCID iD: 0000-0003-0015-2605

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- Conference Paper
- C3
From 2D toy systems to real drug molecules : exact permeation kinetics through phospholipid membranes

Sina Safaei (UGent) and An Ghysels (UGent)

(2024) Workshop : A Time Warp in Digital Chemical Discoveries, Abstracts.
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- Conference Paper
- open access
Exact Kinetics of Drug Permeation through Phospholipid Membranes via Path Sampling Methodology

Sina Safaei (UGent) and An Ghysels (UGent)

(2024)
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- Journal Article
- A1
- open access
Enhanced molecular docking : novel algorithm for identifying highest weight k-cliques in weighted general and protein-ligand graphs

Kati Rozman, An Ghysels (UGent) , Bogdan Zavalnij, Tanja Kunej, Urban Bren, Dusanka Janez and Janez Konc

(2024) JOURNAL OF MOLECULAR STRUCTURE. 1304.
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- Journal Article
- A1
- open access
An exact algorithm to find a maximum weight clique in a weighted undirected graph

Kati Rozman, An Ghysels (UGent) , Dušanka Janežič and Janez Konc

(2024) SCIENTIFIC REPORTS. 14(1).
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- Journal Article
- A1
- open access
PyRETIS 3 : conquering rare and slow events without boundaries

Wouter Vervust (UGent) , Daniel T. Zhang, An Ghysels (UGent) , Sander Roet, Titus S. van Erp and Enrico Riccardi

(2024) JOURNAL OF COMPUTATIONAL CHEMISTRY. 45(15). p.1224-1234
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Conformational dynamics of α‐1 acid glycoprotein (AGP) in cancer : a comparative study of glycosylated and unglycosylated AGP

Bhawna Dixit (UGent) , Wim Vranken and An Ghysels (UGent)

(2024) PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. 92(2). p.246-264
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- Conference Paper
- C3
Exploring caveolae's role in oxygen 'buffering' through coarse-grained molecular dynamics

Samaneh Davoudi (UGent) and An Ghysels (UGent)

(2023) 2023 FEA Research Symposium, Abstracts.
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Pushing path sampling simulations to longer timescales : reducing memory and introducing replica exchange

Wouter Vervust (UGent) and An Ghysels (UGent)

(2023) Advanced Methods in MD 2023, Abstracts.
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- Journal Article
- A1
- open access
Capric acid and myristic acid permeability enhancers in curved liposome membranes

Samaneh Davoudi (UGent) , Koen Raemdonck (UGent) , Kevin Braeckmans (UGent) and An Ghysels (UGent)

(2023) JOURNAL OF CHEMICAL INFORMATION AND MODELING. 63(21). p.6789-6806
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- Journal Article
- A1
- open access
Path sampling with memory reduction and replica exchange to reach long permeation timescales

Wouter Vervust (UGent) , Daniel T. Zhang, Titus S. Van Erp and An Ghysels (UGent)

(2023) BIOPHYSICAL JOURNAL. 122(14). p.2960-2972

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