An Ghysels

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 11

Top Topics

Low Density Lipoprotein

Molecular Dynamics Simulations

Electron Transfer

Top Venues

Journal of computational chemistry

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry 45 (15) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry 45 (15) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry (2024)
Samaneh Davoudi, Koen Raemdonck, Kevin Braeckmans, An Ghysels
Capric Acid and Myristic Acid Permeability Enhancers in Curved Liposome Membranes. Journal of chemical information and modeling (2023)
Samaneh Davoudi, An Ghysels
Sampling efficiency of the counting method for permeability calculations estimated with the inhomogeneous solubility-diffusion model. The Journal of chemical physics 154 (5) (2021)
Enrico Riccardi, Andreas Krämer, Titus S van Erp, An Ghysels
Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling. The journal of physical chemistry. B 125 (1) (2020)
Andreas Krämer, An Ghysels, Eric Wang, Richard M Venable, Jeffery B Klauda, Bernard R Brooks, Richard W Pastor
Membrane permeability of small molecules from unbiased molecular dynamics simulations. The Journal of chemical physics 153 (12) (2020)
An Ghysels, Andreas Krämer, Richard M Venable, Walter E Teague, Edward Lyman, Klaus Gawrisch, Richard W Pastor
Permeability of membranes in the liquid ordered and liquid disordered phases. Nature communications 10 (1) (2019)
Sven M J Rogge, Senne Caroes, Ruben Demuynck, Michel Waroquier, Veronique Van Speybroeck, An Ghysels
The Importance of Cell Shape Sampling To Accurately Predict Flexibility in Metal-Organic Frameworks. Journal of chemical theory and computation 14 (3) (2018)
Oriana De Vos, Richard M Venable, Tanja Van Hecke, Gerhard Hummer, Richard W Pastor, An Ghysels
Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model. Journal of chemical theory and computation 14 (7) (2018)
An Ghysels, Richard M Venable, Richard W Pastor, Gerhard Hummer
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. Journal of chemical theory and computation 13 (6) (2017)