Academic Bibliography

Search 200 years of publications by Ghent University researchers.

Wouter Vervust

Faculty of Bioscience Engineering > Department of Data analysis and mathematical modelling

ORCID iD: 0000-0002-8714-3017

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A center-based model reveals that cell shape variability drives cell sorting in spheroids

Hannelore Van De Putte (UGent) , Jiří Pešek, Wouter Vervust (UGent) and Paul Van Liedekerke (UGent)

(2026)
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- Journal Article
- A1
- open access
Estimating full path lengths and kinetics from partial path transition interface sampling simulations

Wouter Vervust (UGent) , Elias Wils (UGent) , Sina Safaei (UGent) , Daniel T. Zhang and An Ghysels (UGent)

(2026) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 22(4). p.1527-1538
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- Research Data
trypsin-benzamidine MD

Wouter Vervust (UGent) , An Ghysels (UGent) , Sina Safaei (UGent) and Elias Wils (UGent)

(2025)
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- Journal Article
- A1
- open access
Path sampling challenges in large biomolecular systems : RETIS and REPPTIS for ABL-imatinib kinetics

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

(2025) BIOPHYSICAL JOURNAL. 124(22). p.3932-3947
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- Conference Paper
- C3
- open access
Extending path memory to improve kinetics calculations in rare molecular processes

Elias Wils (UGent) , Wouter Vervust (UGent) , Titus van Erp (UGent) and An Ghysels (UGent)

(2025) 2025 CECAM Workshop : Biomolecular Dynamics in the Age of Machine Learning, Abstracts.
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- Journal Article
- A1
- open access
Myelin sheaths can act as compact temporary oxygen storage units as modeled by an electrical RC circuit model

Wouter Vervust (UGent) , Sina Safaei (UGent) , Katja Witschas (UGent) , Luc Leybaert (UGent) and An Ghysels (UGent)

(2025) PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 122(20).
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- PhD Thesis
Advanced molecular dynamics simulation techniques for kinetic analysis of biological systems

Wouter Vervust (UGent)

(2024)
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- Conference Paper
- C3
- open access
Extending path memory to improve kinetics calculations in rare molecular processes

Elias Wils (UGent) , Wouter Vervust (UGent) , Titus van Erp (UGent) and An Ghysels (UGent)

(2024) 2024 FEA Research Symposium, Abstracts.
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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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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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