SUPR
Computational Chemistry for the Design of Bioactive Compounds and Molecular Probes in Cell Biology
Dnr:

NAISS 2025/22-1009

Type:

NAISS Small Compute

Principal Investigator:

Morten Grötli

Affiliation:

Göteborgs universitet

Start Date:

2025-07-31

End Date:

2026-08-01

Primary Classification:

30103: Medicinal Chemistry (Natural Sciences at 10405)

Allocation

Abstract

The Grøtli laboratory employs synthetic organic chemistry in the design and production of novel chemical entities to address key questions in cell biology and medicine. These compounds serve as both potential therapeutics and experimental tools for elucidating biological mechanisms. Computational chemistry plays an essential role in our projects, supporting the rational design and optimisation of these molecular systems. This application outlines four sub-projects where access to high-performance computing resources is critical for advancing our research (see Resource Usage).