Research Explorer

Your browser does not support JavaScript or JavaScript is not enabled. Without JavaScript some functions of this webapplication may be disabled or cause error messages. To enable JavaScript, please consult the manual of your browser or contact your system administrator.

Project

Memory dependent PAth Sampling methods for understanding long TIMEscale molecular processes

Outputs and Outcomes

Publications

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

Sina SafaeiAn Ghysels

Exact kinetics of drug permeation through phospholipid membranes via path sampling methodology

Sina SafaeiAn Ghysels

PyRETIS 3 : conquering rare and slow events without boundaries

Wouter VervustDaniel T. ZhangAn GhyselsSander RoetTitus S. van ErpEnrico Riccardi

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

Data-driven protocol design for diffusion MRI

Elias WilsFrederik MaesDaan Christiaens

Capric acid and myristic acid permeability enhancers in curved liposome membranes

Samaneh DavoudiKoen RaemdonckKevin BraeckmansAn Ghysels

A1 Journal Article in JOURNAL OF CHEMICAL INFORMATION AND MODELING