SUPR
Simulations of pharmaceutical proteins
Dnr:

NAISS 2024/22-666

Type:

NAISS Small Compute

Principal Investigator:

Inna Ermilova

Affiliation:

Chalmers tekniska högskola

Start Date:

2024-05-13

End Date:

2025-06-01

Primary Classification:

10603: Biophysics

Webpage:

Allocation

Abstract

Many modern therapies are using specific pharmaceutical proteins. Those proteins are seen as the most prominent agents for treatments of various diseases. However, their physical and biochemical properties are far from being perfect. In this work the goal is to investigate the behavior of novel proteins and compare their behavior to similar species in nature using molecular dynamics simulations. Additionally, interactions with other small molecules will be studied. Cluster Dardel serves as the perfect tool for these kinds of simulations.