An Ghysels
Universiteit Gent
H-index: 27
Europe-Belgium
Top articles of An Ghysels
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Enhanced molecular docking: Novel algorithm for identifying highest weight k-cliques in weighted general and protein-ligand graphs | Journal of Molecular Structure | Kati Rozman An Ghysels Bogdan Zavalnij Tanja Kunej Urban Bren | 2024/5/15 |
An exact algorithm to find a maximum weight clique in a weighted undirected graph | Scientific reports | Kati Rozman An Ghysels Dušanka Janežič Janez Konc | 2024/4/20 |
PyRETIS 3: Conquering rare and slow events without boundaries | Journal of Computational Chemistry | Wouter Vervust Daniel T Zhang An Ghysels Sander Roet Titus S van Erp | 2024/2/12 |
Conformational dynamics of α‐1 acid glycoprotein (AGP) in cancer: A comparative study of glycosylated and unglycosylated AGP | Proteins: Structure, Function, and Bioinformatics | Bhawna Dixit Wim Vranken An Ghysels | 2024/2 |
ASSESSING PASSIVE PERMEABILITY OF DRUG RELEASING LIPOSOMES CONTAINING SATURATED FATTY ACIDS WITH MOLECULAR DYNAMICS SIMULATIONS | Samaneh Davoudi An Ghysels | 2023 | |
Capric Acid and Myristic Acid Permeability Enhancers in Curved Liposome Membranes | Journal of Chemical Information and Modeling | Samaneh Davoudi Koen Raemdonck Kevin Braeckmans An Ghysels | 2023/11/2 |
Path sampling with memory reduction and replica exchange to reach long permeation timescales | Biophysical Journal | Wouter Vervust Daniel T Zhang Titus S Van Erp An Ghysels | 2023/7/25 |
Defining permeability of curved membranes in molecular dynamics simulations | Biophysical Journal | Samaneh Davoudi An Ghysels | 2023/6/6 |
Exploring caveolae's role in oxygen" buffering" through coarse-grained molecular dynamics | Samaneh Davoudi An Ghysels | 2023 | |
Understanding the mechanism of oxygen “buffering” by caveolae using coarse grained molecular dynamics | Samaneh Davoudi An Ghysels | 2023 | |
Mechanism of oxygen'buffering'by caveolae | Samaneh Davoudi Qi Wang Hemal H Patel Sally C Pias An Ghysels | 2022 | |
Dissecting the conformational dynamics of α-1 acid glycoprotein (AGP) in cancer: a comparative study of glycosylated and un glycosylated AGP mutants | Bhawna Dixit Wim Vranken An Ghysels | 2022 | |
Oxygen storage in stacked phospholipid membranes under an oxygen gradient as a model for myelin sheaths | Wouter Vervust An Ghysels | 2022/12/18 | |
Investigating membrane curvature and composition effect on membrane permeability by counting permeant crossings | Samaneh Davoudi Koen Raemdonck Kevin Braeckmans An Ghysels | 2022 | |
Effect of membrane curvature and lipid composition on membrane permeability in liposomal drug delivery | Samaneh Davoudi An Ghysels | 2022 | |
Understanding the Role of Caveolae in Oxygen Buffering: The Effect of Membrane Curvature | Samaneh Davoudi Qi Wang Hemal H Patel Sally C Pias An Ghysels | 2022/9/18 | |
Understanding membrane permeability of drug releasing liposomes from molecular dynamics simulations: effect of curvature and composition | Samaneh Davoudi Koen Raemdonck Kevin Braeckmans An Ghysels | 2022 | |
Dissecting conformational dynamics of α-1 acid glycoprotein (AGP): a study of glycosylated and un-glycosylated mutants | Bhawna Dixit Wim Vranken An Ghysels | 2022 | |
Counting permeant crossings to assess the effect of membrane curvature and composition on the permeability rate | Biophysical Journal | Samaneh Davoudi Koen Raemdonck Kevin Braeckmans An Ghysels | 2022/2/11 |
Investigation of the orthogonal degrees of freedom in protein-drug unbinding pathways of the ABL protein using Replica Exchange Transition Interface Sampling | Wouter Vervust An Ghysels | 2022 |
