Multiscale structural refinement of liposomes
Title: Multiscale structural refinement of liposomes
SNIC Project: SNIC 2019/3-553
Project Type: SNIC Medium Compute
Principal Investigator: Jan Swenson <jan.swenson@chalmers.se>
Affiliation: Chalmers tekniska högskola
Duration: 2019-11-01 – 2020-11-01
Classification: 10603 10304 10399
Keywords:

Abstract

Liposomes are large vesicles which can contain millions of atoms. They are used as carriers of short interfering RNA in various therapeutic treatments. However, structures of such vesicles are not easy to determine from experimental data due to their large sizes, what has a negative impact on a knowledge of mechanisms of their actions. Promising results from modern simulations on super-computers have made them good tools for structural refinement and prediction of behavior of various drug targets. That is why in this project, we are going to develop and test mathematical models on different scales for liposomes and lipid bilayers utilizing several computational techniques.