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

Memory dependent PAth Sampling methods for understanding long TIMEscale molecular processes

Advanced Molecular Dynamics Simulation Techniques for Kinetic Analysis of Biological Systems

Development of computational algorithms to predict the kinetics of biophysical molecular processes at the molecular scale

Development of the path sampling methodology for molecular scale kinetics simulations

Doctoral project Senne Caroes

Investigating Protein Flexibility Using Molecular Dynamics Simulations of α-1 Acid Glycoprotein and Large-Scale Normal Mode Analysis of AlphaFold Models

Investigating the Effect of Curvature and Composition on Lipid Membrane Permeability Using Molecular Dynamics Simulations

Method development in computational chemistry and molecular dynamics simulations for drug transport and binding

Method development in computational chemistry and molecular dynamics simulations to reach relevant timescales in drug transport and binding

When computational modelling meets multi-technique patient-specific 3D-bioprinting towards diagnostic bone scaffolds

Calculating permeability of drugs through liposomal membranes

COGEVAB: New COmputational tools at the molecular scale for studying effects of GEnetic VAriants on drug Binding

Computational biophysics at the molecular scale

Efficient determination of free energy for large molecular systems with constraints

Modeling of diffusion and reaction kinetics in nanoporous materials.