Title:	Computational Chemistry for the Design of Bioactive Compounds and Molecular Probes in Cell Biology
DNr:	NAISS 2025/22-1009
Project Type:	NAISS Small Compute
Principal Investigator:	Morten Grötli <grotli@chem.gu.se>
Affiliation:	Göteborgs universitet
Duration:	2025-07-31 – 2026-08-01
Classification:	30103
Homepage:	https://www.grotlilab.net/
Keywords:

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).