Wouter Vervust
- ORCID iD
-
0000-0002-8714-3017
Show
Sort by
-
- Journal Article
- A1
- open access
PyRETIS 3 : conquering rare and slow events without boundaries
-
Pushing path sampling simulations to longer timescales : reducing memory and introducing replica exchange
-
- Journal Article
- A1
- open access
Path sampling with memory reduction and replica exchange to reach long permeation timescales
-
Oxygen storage in stacked phospholipid membranes under an oxygen gradient as a model for myelin sheaths
(2022) Oxygen Transport to Tissue XLIII. In Advances in Experimental Medicine and Biology 1395. p.301-307 -
- Conference Paper
- C3
- open access
Investigation of the orthogonal degrees of freedom in protein-drug unbinding pathways of the ABL protein using Replica Exchange Transition Interface Sampling
-
- Conference Paper
- C3
- open access
Replica Exchange Transition Interface Sampling to investigate the orthogonal degrees of freedom in protein-drug unbinding pathways of the ABL protein
-
- Conference Paper
- C3
- open access
Computational tools for protein-ligand binding kinetics in personalized medicine
-
- Conference Paper
- C3
- open access
Path sampling methods for protein-ligand binding kinetics