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

DYMEMO – Predicting DYnamics and kinetics of biological MEmbrane processes at the MOlecular scale: development of computational methodologies

Outputs and Outcomes

Publications

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

Conformational dynamics of α‐1 acid glycoprotein (AGP) in cancer : a comparative study of glycosylated and unglycosylated AGP

Bhawna DixitWim VrankenAn Ghysels

A1 Journal Article in PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

Path sampling with memory reduction and replica exchange to reach long permeation timescales

Wouter VervustDaniel T. ZhangTitus S. Van ErpAn Ghysels

A1 Journal Article in BIOPHYSICAL JOURNAL